N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine

C18H22FN — CID 62136472

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CNC(C)Cc1ccccc1C
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-16(13)11-15(3)20-12-17-8-9-18(19)10-14(17)2/h4-10,15,20H,11-12H2,1-3H3
InChIKeyYAEPIEPKRPCZBQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.16
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 62136472) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID62136472
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CNC(C)Cc1ccccc1C
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-16(13)11-15(3)20-12-17-8-9-18(19)10-14(17)2/h4-10,15,20H,11-12H2,1-3H3
InChIKeyYAEPIEPKRPCZBQ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 62136472) is N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1cc(F)ccc1CNC(C)Cc1ccccc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is YAEPIEPKRPCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-6-4-5-7-16(13)11-15(3)20-12-17-8-9-18(19)10-14(17)2/h4-10,15,20H,11-12H2,1-3H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 62136472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).