(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine

C17H20FN — CID 62514124

IUPAC(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H20FN/c1-11(2)13-5-7-14(8-6-13)17(19)15-10-12(3)4-9-16(15)18/h4-11,17H,19H2,1-3H3
InChIKeyIICVNNRDBAEGTD-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.31
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine

(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 62514124) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID62514124
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H20FN/c1-11(2)13-5-7-14(8-6-13)17(19)15-10-12(3)4-9-16(15)18/h4-11,17H,19H2,1-3H3
InChIKeyIICVNNRDBAEGTD-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

(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine (CID 62514124) is (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine is Cc1ccc(F)c(C(N)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is IICVNNRDBAEGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11(2)13-5-7-14(8-6-13)17(19)15-10-12(3)4-9-16(15)18/h4-11,17H,19H2,1-3H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine?
(2-fluoro-5-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 (2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 62514124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).