N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine

C14H20ClNO — CID 62672229

IUPACN-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(C)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-12(9-16-11-5-6-11)17-14-7-4-10(2)8-13(14)15/h4,7-8,11-12,16H,3,5-6,9H2,1-2H3
InChIKeyVSTQHCNIBVZYQN-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine

N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine (PubChem CID 62672229) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
PubChem CID62672229
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1ccc(C)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-12(9-16-11-5-6-11)17-14-7-4-10(2)8-13(14)15/h4,7-8,11-12,16H,3,5-6,9H2,1-2H3
InChIKeyVSTQHCNIBVZYQN-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138
(3R)-N-[(2R)-2-(2-chlorophenoxy)butyl]-1,1-dioxothian-3-amine
CID 99851290
N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine (CID 62672229) is N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1ccc(C)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine?
The InChIKey is VSTQHCNIBVZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-12(9-16-11-5-6-11)17-14-7-4-10(2)8-13(14)15/h4,7-8,11-12,16H,3,5-6,9H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine?
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62672229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).