(4-bromo-3-chlorophenyl)-cyclobutylmethanamine

C11H13BrClN — CID 112630976

IUPAC(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(Br)c(Cl)c1)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyRVZHYEBZTYIJIP-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-cyclobutylmethanamine

(4-bromo-3-chlorophenyl)-cyclobutylmethanamine (PubChem CID 112630976) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
PubChem CID112630976
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(Br)c(Cl)c1)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyRVZHYEBZTYIJIP-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-cyclobutylmethanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-cyclobutylmethanamine (CID 112630976) is (4-bromo-3-chlorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-cyclobutylmethanamine is NC(c1ccc(Br)c(Cl)c1)C1CCC1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-cyclobutylmethanamine?
The InChIKey is RVZHYEBZTYIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2.
What are the key properties of (4-bromo-3-chlorophenyl)-cyclobutylmethanamine?
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 112630976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).