(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine

C18H20BrN — CID 105053825

IUPAC(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Br
InChIInChI=1S/C18H20BrN/c1-12-10-16(8-9-17(12)19)18(20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13,18H,2,4-5,20H2,1H3
InChIKeyLCPJFVUTXKPEPQ-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.07
Rot. Bonds3

About (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine

(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine (PubChem CID 105053825) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
PubChem CID105053825
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Br
InChIInChI=1S/C18H20BrN/c1-12-10-16(8-9-17(12)19)18(20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13,18H,2,4-5,20H2,1H3
InChIKeyLCPJFVUTXKPEPQ-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The IUPAC name of (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine (CID 105053825) is (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine is Cc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The InChIKey is LCPJFVUTXKPEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-10-16(8-9-17(12)19)18(20)15-7-3-6-14(11-15)13-4-2-5-13/h3,6-11,13,18H,2,4-5,20H2,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine has a molecular weight of 330.27 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105053825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).