N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine

C16H24ClNO — CID 65308462

IUPACN-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
SMILESCOc1ccc(CCCCCCNC2CC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyVTRZTCGHWRBPJT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds9

About N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine

N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine (PubChem CID 65308462) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
PubChem CID65308462
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
SMILESCOc1ccc(CCCCCCNC2CC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3
InChIKeyVTRZTCGHWRBPJT-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
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-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
4-(3-chloro-4-methoxyphenyl)butanal
CID 96658047

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine (CID 65308462) is N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine is COc1ccc(CCCCCCNC2CC2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine?
The InChIKey is VTRZTCGHWRBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-19-16-10-7-13(12-15(16)17)6-4-2-3-5-11-18-14-8-9-14/h7,10,12,14,18H,2-6,8-9,11H2,1H3.
What are the key properties of N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine?
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).