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

C18H20ClN — CID 105053710

IUPAC(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Cl
InChIInChI=1S/C18H20ClN/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
InChIKeySPHLYNBIFSJEHQ-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.96
Rot. Bonds3

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

(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine (PubChem CID 105053710) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
PubChem CID105053710
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Cl
InChIInChI=1S/C18H20ClN/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
InChIKeySPHLYNBIFSJEHQ-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine (CID 105053710) is (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine is Cc1cc(C(N)c2cccc(C3CCC3)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
The InChIKey is SPHLYNBIFSJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/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-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine?
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105053710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).