N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

C19H24FN — CID 62516253

IUPACN-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H24FN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyYAOXCSOKXQIZGD-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.15
Rot. Bonds7

About N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 62516253) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID62516253
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H24FN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyYAOXCSOKXQIZGD-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 62516253) is N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(F)cc1)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is YAOXCSOKXQIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-3-21-14-18(12-16-7-9-19(20)10-8-16)13-17-6-4-5-15(2)11-17/h4-11,18,21H,3,12-14H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 62516253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).