N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine

C18H22N2 — CID 62205562

IUPACN-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1Cc2ccccc2C1
InChIInChI=1S/C18H22N2/c1-14(2)19-11-15-7-5-6-10-18(15)20-12-16-8-3-4-9-17(16)13-20/h3-10,14,19H,11-13H2,1-2H3
InChIKeyNFVQQPWCKRYAFE-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.70
Rot. Bonds4

About N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine

N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 62205562) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
PubChem CID62205562
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1Cc2ccccc2C1
InChIInChI=1S/C18H22N2/c1-14(2)19-11-15-7-5-6-10-18(15)20-12-16-8-3-4-9-17(16)13-20/h3-10,14,19H,11-13H2,1-2H3
InChIKeyNFVQQPWCKRYAFE-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine 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

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66394076
(2S)-1-cycloheptyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 141159046
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 62331056
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114594233
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542425
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine (CID 62205562) is N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1N1Cc2ccccc2C1.
What is the InChIKey of N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is NFVQQPWCKRYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(2)19-11-15-7-5-6-10-18(15)20-12-16-8-3-4-9-17(16)13-20/h3-10,14,19H,11-13H2,1-2H3.
What are the key properties of N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine?
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62205562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).