(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine

C16H18ClN — CID 138032113

IUPAC(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc(C(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN/c1-11(2)13-4-3-5-14(10-13)16(18)12-6-8-15(17)9-7-12/h3-11,16H,18H2,1-2H3
InChIKeyPWCSPKOOTFOLAC-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.51
Rot. Bonds3

About (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine

(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine (PubChem CID 138032113) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
PubChem CID138032113
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1cccc(C(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN/c1-11(2)13-4-3-5-14(10-13)16(18)12-6-8-15(17)9-7-12/h3-11,16H,18H2,1-2H3
InChIKeyPWCSPKOOTFOLAC-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 130804056
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine?
The IUPAC name of (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine (CID 138032113) is (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine is CC(C)c1cccc(C(N)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine?
The InChIKey is PWCSPKOOTFOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11(2)13-4-3-5-14(10-13)16(18)12-6-8-15(17)9-7-12/h3-11,16H,18H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine?
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine has a molecular weight of 259.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 138032113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).