N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine

C25H34N2O — CID 166684581

IUPACN-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine
SMILESCC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C25H34N2O/c1-20(17-27-14-13-22-8-2-3-9-23(22)18-27)19-28-25-12-6-7-21(15-25)16-26-24-10-4-5-11-24/h2-3,6-9,12,15,20,24,26H,4-5,10-11,13-14,16-19H2,1H3
InChIKeyDKGAWKSGCXKPKV-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.79
Rot. Bonds8

About N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine

N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine (PubChem CID 166684581) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine
PubChem CID166684581
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine
SMILESCC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C25H34N2O/c1-20(17-27-14-13-22-8-2-3-9-23(22)18-27)19-28-25-12-6-7-21(15-25)16-26-24-10-4-5-11-24/h2-3,6-9,12,15,20,24,26H,4-5,10-11,13-14,16-19H2,1H3
InChIKeyDKGAWKSGCXKPKV-UHFFFAOYSA-N
XLogP4.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(cyclopentylamino)methyl]phenoxy]-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 90335430
1-[4-[(cyclopentylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45174990
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335442
1-[3-[(benzylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45239451
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 26406279
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-[5-ethenyl-4-(methylideneamino)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 144986440
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 72898065
N-[2-[[3-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]acetamide
CID 25292513
1-[3-[[dicyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45206262
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-morpholin-4-ylethylamino)methyl]phenoxy]propan-2-ol
CID 29028407
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine (CID 166684581) is N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine is CC(COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine?
The InChIKey is DKGAWKSGCXKPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-20(17-27-14-13-22-8-2-3-9-23(22)18-27)19-28-25-12-6-7-21(15-25)16-26-24-10-4-5-11-24/h2-3,6-9,12,15,20,24,26H,4-5,10-11,13-14,16-19H2,1H3.
What are the key properties of N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine?
N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine has a molecular weight of 378.56 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 166684581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).