N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine

C17H26ClNO — CID 79679265

IUPACN-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(Cl)ccc2OC)CCCC1C
InChIInChI=1S/C17H26ClNO/c1-4-10-19-12-17(9-5-6-13(17)2)15-11-14(18)7-8-16(15)20-3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3
InChIKeyKONDJDDLCXMAMZ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.41
Rot. Bonds6

About N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine

N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine (PubChem CID 79679265) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
PubChem CID79679265
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2cc(Cl)ccc2OC)CCCC1C
InChIInChI=1S/C17H26ClNO/c1-4-10-19-12-17(9-5-6-13(17)2)15-11-14(18)7-8-16(15)20-3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3
InChIKeyKONDJDDLCXMAMZ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.41
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-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
CID 79679172
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine (CID 79679265) is N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine is CCCNCC1(c2cc(Cl)ccc2OC)CCCC1C.
What is the InChIKey of N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The InChIKey is KONDJDDLCXMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-10-19-12-17(9-5-6-13(17)2)15-11-14(18)7-8-16(15)20-3/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 79679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).