(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine

C17H20FN — CID 62789476

IUPAC(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)ccc1F
InChIInChI=1S/C17H20FN/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17H,19H2,1-3H3
InChIKeyVRQTWPGDQVYUEX-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.31
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine

(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 62789476) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID62789476
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)ccc1F
InChIInChI=1S/C17H20FN/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17H,19H2,1-3H3
InChIKeyVRQTWPGDQVYUEX-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
CID 138032113
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine (CID 62789476) is (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine is Cc1cc(C(N)c2ccc(C(C)C)cc2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is VRQTWPGDQVYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11(2)13-4-6-14(7-5-13)17(19)15-8-9-16(18)12(3)10-15/h4-11,17H,19H2,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 62789476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).