N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine

C16H24ClNO — CID 62515917

IUPACN-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
SMILESCOCCCC(CNC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-19-10-2-3-14(12-18-16-8-9-16)11-13-4-6-15(17)7-5-13/h4-7,14,16,18H,2-3,8-12H2,1H3
InChIKeyJWBAIACRCKZTLM-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine

N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine (PubChem CID 62515917) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
PubChem CID62515917
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
SMILESCOCCCC(CNC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-19-10-2-3-14(12-18-16-8-9-16)11-13-4-6-15(17)7-5-13/h4-7,14,16,18H,2-3,8-12H2,1H3
InChIKeyJWBAIACRCKZTLM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine (CID 62515917) is N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine is COCCCC(CNC1CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
The InChIKey is JWBAIACRCKZTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-19-10-2-3-14(12-18-16-8-9-16)11-13-4-6-15(17)7-5-13/h4-7,14,16,18H,2-3,8-12H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine?
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine is sourced from PubChem (CID 62515917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).