(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

C17H20FN — CID 81347067

IUPAC(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H20FN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyZEVMQOMOMMRDAS-CQSZACIVSA-N
MW257.35 g/mol
LogP4.29
Rot. Bonds4

About (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347067) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347067
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H20FN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyZEVMQOMOMMRDAS-CQSZACIVSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81347067) is (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is Cc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1C.
What is the InChIKey of (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is ZEVMQOMOMMRDAS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).