N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine

C18H22FN — CID 81364729

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22FN/c1-4-18(15-10-8-13(2)9-11-15)20-14(3)16-6-5-7-17(19)12-16/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyLXYDSQJNTBKPFH-PIVQAISJSA-N
MW271.38 g/mol
LogP4.94
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine

N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 81364729) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID81364729
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22FN/c1-4-18(15-10-8-13(2)9-11-15)20-14(3)16-6-5-7-17(19)12-16/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyLXYDSQJNTBKPFH-PIVQAISJSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine (CID 81364729) is N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine is CCC(N[C@@H](C)c1cccc(F)c1)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is LXYDSQJNTBKPFH-PIVQAISJSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-18(15-10-8-13(2)9-11-15)20-14(3)16-6-5-7-17(19)12-16/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 81364729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).