[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine

C14H20ClN — CID 117348294

IUPAC[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
SMILESCCC(C)c1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-3-10(2)12-5-4-11(8-13(12)15)14(9-16)6-7-14/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyUIYNMUUQLQPBJQ-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.84
Rot. Bonds4

About [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine

[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine (PubChem CID 117348294) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
PubChem CID117348294
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
SMILESCCC(C)c1ccc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-3-10(2)12-5-4-11(8-13(12)15)14(9-16)6-7-14/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyUIYNMUUQLQPBJQ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
CID 105424457
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
CID 117388041

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine (CID 117348294) is [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine is CCC(C)c1ccc(C2(CN)CC2)cc1Cl.
What is the InChIKey of [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine?
The InChIKey is UIYNMUUQLQPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-10(2)12-5-4-11(8-13(12)15)14(9-16)6-7-14/h4-5,8,10H,3,6-7,9,16H2,1-2H3.
What are the key properties of [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine?
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117348294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).