1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride

C10H15ClFN — CID 138110336

IUPAC1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1cc(F)ccc1C.Cl
InChIInChI=1S/C10H14FN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H
InChIKeyBTLLEECEZCPIST-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.97
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride

1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 138110336) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID138110336
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCCC(N)c1cc(F)ccc1C.Cl
InChIInChI=1S/C10H14FN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H
InChIKeyBTLLEECEZCPIST-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-fluoro-2-methylphenyl)propan-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

(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
3-(1-aminopropyl)-4-methylaniline
CID 130000361
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
1-(4-fluoro-2-iodophenyl)propan-1-amine
CID 103846012

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride (CID 138110336) is 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride is CCC(N)c1cc(F)ccc1C.Cl.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is BTLLEECEZCPIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.ClH/c1-3-10(12)9-6-8(11)5-4-7(9)2;/h4-6,10H,3,12H2,1-2H3;1H.
What are the key properties of 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride?
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 138110336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).