N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine

C16H24BrNO — CID 82831973

IUPACN-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C16H24BrNO/c1-2-10-18-13-16(8-3-4-9-16)19-12-14-6-5-7-15(17)11-14/h5-7,11,18H,2-4,8-10,12-13H2,1H3
InChIKeyPWMBHJRQJIRNEE-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.28
Rot. Bonds7

About N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine

N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine (PubChem CID 82831973) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
PubChem CID82831973
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C16H24BrNO/c1-2-10-18-13-16(8-3-4-9-16)19-12-14-6-5-7-15(17)11-14/h5-7,11,18H,2-4,8-10,12-13H2,1H3
InChIKeyPWMBHJRQJIRNEE-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-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-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 65124692
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 62105997
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 82832048
3-[(3-bromophenyl)methoxy]-3-methylpiperidine
CID 107385756
3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075001
1-bromo-3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]benzene
CID 114774884
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
CID 82831281
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine (CID 82831973) is N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine is CCCNCC1(OCc2cccc(Br)c2)CCCC1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The InChIKey is PWMBHJRQJIRNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-10-18-13-16(8-3-4-9-16)19-12-14-6-5-7-15(17)11-14/h5-7,11,18H,2-4,8-10,12-13H2,1H3.
What are the key properties of N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 82831973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).