2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride

C12H19ClFN — CID 122239963

IUPAC2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
SMILESCNCC(F)CCCc1ccccc1.Cl
InChIInChI=1S/C12H18FN.ClH/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,12,14H,5,8-10H2,1H3;1H
InChIKeyXGTUMWROSZZHPD-UHFFFAOYSA-N
MW231.74 g/mol
LogP2.99
Rot. Bonds6

About 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride

2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride (PubChem CID 122239963) has the molecular formula C12H19ClFN and a molecular weight of 231.74 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
PubChem CID122239963
Molecular FormulaC12H19ClFN
Molecular Weight231.74 g/mol
Exact Mass231.12
IUPAC Name2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
SMILESCNCC(F)CCCc1ccccc1.Cl
InChIInChI=1S/C12H18FN.ClH/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,12,14H,5,8-10H2,1H3;1H
InChIKeyXGTUMWROSZZHPD-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride 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

N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
2-[(2-fluorophenyl)methyl]-N-methyl-5-phenylpentan-1-amine
CID 62514753
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene
CID 135061580
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride
CID 141033404
N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
CID 70494547
N-methyl-9-phenylnonan-1-amine
CID 10609702
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
(4-chloro-4-methoxybutyl)benzene
CID 15657447

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride (CID 122239963) is 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride is CNCC(F)CCCc1ccccc1.Cl.
What is the InChIKey of 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride?
The InChIKey is XGTUMWROSZZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN.ClH/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,12,14H,5,8-10H2,1H3;1H.
What are the key properties of 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride?
2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride has a molecular weight of 231.74 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride is sourced from PubChem (CID 122239963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).