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

C16H18FN — CID 28622798

IUPAC(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CN[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyPAUVCXZSCNLUOS-CYBMUJFWSA-N
MW243.33 g/mol
LogP3.98
Rot. Bonds4

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

(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 28622798) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID28622798
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CN[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyPAUVCXZSCNLUOS-CYBMUJFWSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43225746
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine (CID 28622798) is (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CN[C@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is PAUVCXZSCNLUOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 243.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 28622798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).