(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine

C17H18FN — CID 63078447

IUPAC(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1(c2ccccc2)CC1
InChIInChI=1S/C17H18FN/c1-12-11-14(18)7-8-15(12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16H,9-10,19H2,1H3
InChIKeyUOMPLNKOYOKBOG-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.87
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine

(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine (PubChem CID 63078447) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
PubChem CID63078447
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1(c2ccccc2)CC1
InChIInChI=1S/C17H18FN/c1-12-11-14(18)7-8-15(12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16H,9-10,19H2,1H3
InChIKeyUOMPLNKOYOKBOG-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine (CID 63078447) is (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine is Cc1cc(F)ccc1C(N)C1(c2ccccc2)CC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine?
The InChIKey is UOMPLNKOYOKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-11-14(18)7-8-15(12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16H,9-10,19H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine?
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine has a molecular weight of 255.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 63078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).