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

C18H28ClN — CID 63522844

IUPACN-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
SMILESCCCCCCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C18H28ClN/c1-2-3-4-5-8-15(14-20-17-11-12-17)13-16-9-6-7-10-18(16)19/h6-7,9-10,15,17,20H,2-5,8,11-14H2,1H3
InChIKeyVFLWCNWGQGREMG-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.22
Rot. Bonds10

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

N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine (PubChem CID 63522844) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
PubChem CID63522844
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
SMILESCCCCCCC(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C18H28ClN/c1-2-3-4-5-8-15(14-20-17-11-12-17)13-16-9-6-7-10-18(16)19/h6-7,9-10,15,17,20H,2-5,8,11-14H2,1H3
InChIKeyVFLWCNWGQGREMG-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-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine (CID 63522844) is N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine is CCCCCCC(CNC1CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine?
The InChIKey is VFLWCNWGQGREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-2-3-4-5-8-15(14-20-17-11-12-17)13-16-9-6-7-10-18(16)19/h6-7,9-10,15,17,20H,2-5,8,11-14H2,1H3.
What are the key properties of N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine?
N-[2-[(2-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-[(2-chlorophenyl)methyl]octyl]cyclopropanamine is sourced from PubChem (CID 63522844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).