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

C18H22FN — CID 60946165

IUPAC1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-4-18(16-9-11-17(19)12-10-16)20-14(3)15-7-5-13(2)6-8-15/h5-12,14,18,20H,4H2,1-3H3
InChIKeyJHRSPMSFJHARIV-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.94
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 60946165) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID60946165
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN/c1-4-18(16-9-11-17(19)12-10-16)20-14(3)15-7-5-13(2)6-8-15/h5-12,14,18,20H,4H2,1-3H3
InChIKeyJHRSPMSFJHARIV-UHFFFAOYSA-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

1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine (CID 60946165) is 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine is CCC(NC(C)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is JHRSPMSFJHARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-18(16-9-11-17(19)12-10-16)20-14(3)15-7-5-13(2)6-8-15/h5-12,14,18,20H,4H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]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 1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60946165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).