N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine

C16H24ClNO — CID 106457197

IUPACN-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
SMILESCCCOCCC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-2-10-19-11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyWAXOKYGMFXIGRA-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.99
Rot. Bonds9

About N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine

N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine (PubChem CID 106457197) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
PubChem CID106457197
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
SMILESCCCOCCC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-2-10-19-11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyWAXOKYGMFXIGRA-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79436421
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine (CID 106457197) is N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine is CCCOCCC(CNC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine?
The InChIKey is WAXOKYGMFXIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-10-19-11-9-13(12-18-14-7-8-14)15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine?
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine is sourced from PubChem (CID 106457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).