[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine

C14H20ClN — CID 105424377

IUPAC[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)Cc1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10(2)7-11-3-4-12(8-13(11)15)14(9-16)5-6-14/h3-4,8,10H,5-7,9,16H2,1-2H3
InChIKeyPBWJWUIJCXGONT-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.53
Rot. Bonds4

About [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine

[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine (PubChem CID 105424377) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
PubChem CID105424377
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
SMILESCC(C)Cc1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10(2)7-11-3-4-12(8-13(11)15)14(9-16)5-6-14/h3-4,8,10H,5-7,9,16H2,1-2H3
InChIKeyPBWJWUIJCXGONT-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine (CID 105424377) is [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine is CC(C)Cc1ccc(C2(CN)CC2)cc1Cl.
What is the InChIKey of [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine?
The InChIKey is PBWJWUIJCXGONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(2)7-11-3-4-12(8-13(11)15)14(9-16)5-6-14/h3-4,8,10H,5-7,9,16H2,1-2H3.
What are the key properties of [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine?
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 105424377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).