1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine

C18H22FN — CID 115828079

IUPAC1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-3-13(2)17(14-9-5-4-6-10-14)18(20)15-11-7-8-12-16(15)19/h4-13,17-18H,3,20H2,1-2H3
InChIKeyCSXIQTTWHYBCMK-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.66
Rot. Bonds5

About 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine

1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine (PubChem CID 115828079) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
PubChem CID115828079
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-3-13(2)17(14-9-5-4-6-10-14)18(20)15-11-7-8-12-16(15)19/h4-13,17-18H,3,20H2,1-2H3
InChIKeyCSXIQTTWHYBCMK-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115859848
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
1-(2-fluorophenyl)propan-1-amine
CID 18439474
2-(2-fluorophenyl)-2-(1-phenylethoxy)ethanamine
CID 55019036
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 102551040

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine (CID 115828079) is 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine is CCC(C)C(c1ccccc1)C(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine?
The InChIKey is CSXIQTTWHYBCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-13(2)17(14-9-5-4-6-10-14)18(20)15-11-7-8-12-16(15)19/h4-13,17-18H,3,20H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine?
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 115828079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).