N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine

C16H24ClNO — CID 62105997

IUPACN-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2ccccc2Cl)CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-11-18-13-16(9-5-6-10-16)19-12-14-7-3-4-8-15(14)17/h3-4,7-8,18H,2,5-6,9-13H2,1H3
InChIKeyKSOMUSCFMXMYOP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.17
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine

N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine (PubChem CID 62105997) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
PubChem CID62105997
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCc2ccccc2Cl)CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-11-18-13-16(9-5-6-10-16)19-12-14-7-3-4-8-15(14)17/h3-4,7-8,18H,2,5-6,9-13H2,1H3
InChIKeyKSOMUSCFMXMYOP-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
CID 63932831
N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 82831973
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
CID 103272478
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 62109260
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine (CID 62105997) is N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine is CCCNCC1(OCc2ccccc2Cl)CCCC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
The InChIKey is KSOMUSCFMXMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-11-18-13-16(9-5-6-10-16)19-12-14-7-3-4-8-15(14)17/h3-4,7-8,18H,2,5-6,9-13H2,1H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine?
N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62105997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).