N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine

C17H27NO2 — CID 81033055

IUPACN-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-10-18-12-13-6-5-7-15(13)16-11-14(19-2)8-9-17(16)20-3/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3
InChIKeyATUAQZWSAPVPQJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds7

About N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81033055) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
PubChem CID81033055
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-10-18-12-13-6-5-7-15(13)16-11-14(19-2)8-9-17(16)20-3/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3
InChIKeyATUAQZWSAPVPQJ-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 82791683
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81034269
N-[[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 82772303
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708175
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667118

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine (CID 81033055) is N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1cc(OC)ccc1OC.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is ATUAQZWSAPVPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-18-12-13-6-5-7-15(13)16-11-14(19-2)8-9-17(16)20-3/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81033055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).