2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine

C18H22FN — CID 62723869

IUPAC2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CNC)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-18(14-20-2,16-9-5-4-6-10-16)13-15-8-7-11-17(19)12-15/h4-12,20H,3,13-14H2,1-2H3
InChIKeyNSNOYBQPRUJCEY-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.94
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine

2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine (PubChem CID 62723869) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
PubChem CID62723869
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CNC)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-18(14-20-2,16-9-5-4-6-10-16)13-15-8-7-11-17(19)12-15/h4-12,20H,3,13-14H2,1-2H3
InChIKeyNSNOYBQPRUJCEY-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 63508129
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine (CID 62723869) is 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine is CCC(CNC)(Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine?
The InChIKey is NSNOYBQPRUJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-18(14-20-2,16-9-5-4-6-10-16)13-15-8-7-11-17(19)12-15/h4-12,20H,3,13-14H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine?
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 62723869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).