N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine

C14H22FN — CID 81351129

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-4-5-11(2)10-16-12(3)13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYNOIHQCREPQPLA-PIJUOVFKSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine (PubChem CID 81351129) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
PubChem CID81351129
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-4-5-11(2)10-16-12(3)13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYNOIHQCREPQPLA-PIJUOVFKSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1,2-diamine
CID 91565963
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
3-[1-(2-methylpentylamino)ethyl]phenol
CID 43748423
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine (CID 81351129) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine is CCCC(C)CN[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine?
The InChIKey is YNOIHQCREPQPLA-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-5-11(2)10-16-12(3)13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine is sourced from PubChem (CID 81351129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).