N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine

C18H22FN — CID 58819068

IUPACN-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
SMILESCc1cc(F)cc([C@H](C)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C18H22FN/c1-13-10-17(12-18(19)11-13)15(3)20(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1
InChIKeyXXEOEQGEQQVRFG-LOACHALJSA-N
MW271.38 g/mol
LogP4.89
Rot. Bonds4

About N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine

N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine (PubChem CID 58819068) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
PubChem CID58819068
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
SMILESCc1cc(F)cc([C@H](C)N(C)C(C)c2ccccc2)c1
InChIInChI=1S/C18H22FN/c1-13-10-17(12-18(19)11-13)15(3)20(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1
InChIKeyXXEOEQGEQQVRFG-LOACHALJSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054
N-ethyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine;sulfane
CID 159193916
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
1-(3-fluoro-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 79703267
N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline
CID 142157502

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine?
The IUPAC name of N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine (CID 58819068) is N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine?
The canonical SMILES for N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine is Cc1cc(F)cc([C@H](C)N(C)C(C)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine?
The InChIKey is XXEOEQGEQQVRFG-LOACHALJSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-10-17(12-18(19)11-13)15(3)20(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine?
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 58819068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).