(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine

C10H15FN2 — CID 131199254

IUPAC(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
SMILESCc1c(F)cccc1[C@@H](N)CCN
InChIInChI=1S/C10H15FN2/c1-7-8(10(13)5-6-12)3-2-4-9(7)11/h2-4,10H,5-6,12-13H2,1H3/t10-/m0/s1
InChIKeyKTAMHKVVOBGZJO-JTQLQIEISA-N
MW182.24 g/mol
LogP1.48
Rot. Bonds3

About (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine

(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine (PubChem CID 131199254) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
PubChem CID131199254
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
SMILESCc1c(F)cccc1[C@@H](N)CCN
InChIInChI=1S/C10H15FN2/c1-7-8(10(13)5-6-12)3-2-4-9(7)11/h2-4,10H,5-6,12-13H2,1H3/t10-/m0/s1
InChIKeyKTAMHKVVOBGZJO-JTQLQIEISA-N
XLogP1.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(1S)-1-(3-fluoro-2-methylphenyl)but-3-en-1-amine
CID 131079548
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
(1S)-1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171223401
2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine (CID 131199254) is (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine is Cc1c(F)cccc1[C@@H](N)CCN.
What is the InChIKey of (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine?
The InChIKey is KTAMHKVVOBGZJO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15FN2/c1-7-8(10(13)5-6-12)3-2-4-9(7)11/h2-4,10H,5-6,12-13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine?
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 131199254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).