(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine

C12H19FN2 — CID 171204385

IUPAC(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
SMILESCc1ccc(F)cc1[C@H](N)CCCCN
InChIInChI=1S/C12H19FN2/c1-9-5-6-10(13)8-11(9)12(15)4-2-3-7-14/h5-6,8,12H,2-4,7,14-15H2,1H3/t12-/m1/s1
InChIKeyQTVMICNMKVXRFJ-GFCCVEGCSA-N
MW210.30 g/mol
LogP2.26
Rot. Bonds5

About (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine

(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine (PubChem CID 171204385) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
PubChem CID171204385
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
SMILESCc1ccc(F)cc1[C@H](N)CCCCN
InChIInChI=1S/C12H19FN2/c1-9-5-6-10(13)8-11(9)12(15)4-2-3-7-14/h5-6,8,12H,2-4,7,14-15H2,1H3/t12-/m1/s1
InChIKeyQTVMICNMKVXRFJ-GFCCVEGCSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine 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-(4-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171201812
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine (CID 171204385) is (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine is Cc1ccc(F)cc1[C@H](N)CCCCN.
What is the InChIKey of (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine?
The InChIKey is QTVMICNMKVXRFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-5-6-10(13)8-11(9)12(15)4-2-3-7-14/h5-6,8,12H,2-4,7,14-15H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine?
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171204385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).