N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine

C18H28ClN — CID 63521924

IUPACN-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
SMILESCCCCCCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-2-3-4-5-7-16(14-20-18-10-11-18)12-15-8-6-9-17(19)13-15/h6,8-9,13,16,18,20H,2-5,7,10-12,14H2,1H3
InChIKeyOILUDXJLTLMHBU-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.22
Rot. Bonds10

About N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine

N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine (PubChem CID 63521924) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
PubChem CID63521924
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
SMILESCCCCCCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-2-3-4-5-7-16(14-20-18-10-11-18)12-15-8-6-9-17(19)13-15/h6,8-9,13,16,18,20H,2-5,7,10-12,14H2,1H3
InChIKeyOILUDXJLTLMHBU-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
CID 62528327
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine (CID 63521924) is N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine is CCCCCCC(CNC1CC1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine?
The InChIKey is OILUDXJLTLMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-2-3-4-5-7-16(14-20-18-10-11-18)12-15-8-6-9-17(19)13-15/h6,8-9,13,16,18,20H,2-5,7,10-12,14H2,1H3.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine?
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine has a molecular weight of 293.88 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine is sourced from PubChem (CID 63521924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).