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

C18H22FN — CID 60943739

IUPACN-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13-8-4-5-9-16(13)12-14(2)20-15(3)17-10-6-7-11-18(17)19/h4-11,14-15,20H,12H2,1-3H3
InChIKeyVJQGSRCYQZTMQP-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds5

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

N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 60943739) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID60943739
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13-8-4-5-9-16(13)12-14(2)20-15(3)17-10-6-7-11-18(17)19/h4-11,14-15,20H,12H2,1-3H3
InChIKeyVJQGSRCYQZTMQP-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 63449736
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (CID 60943739) is N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NC(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is VJQGSRCYQZTMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-8-4-5-9-16(13)12-14(2)20-15(3)17-10-6-7-11-18(17)19/h4-11,14-15,20H,12H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 60943739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).