2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine

C12H19FN2 — CID 65382983

IUPAC2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-3-9(2)12(8-14)15-11-6-4-5-10(13)7-11/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyNCHSTISERHZFDK-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.61
Rot. Bonds5

About 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine

2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine (PubChem CID 65382983) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
PubChem CID65382983
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-3-9(2)12(8-14)15-11-6-4-5-10(13)7-11/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyNCHSTISERHZFDK-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
2-(3-fluoroanilino)-4-methoxy-3-methylbutanenitrile
CID 116501909
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
CID 116699186
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine (CID 65382983) is 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine is CCC(C)C(CN)Nc1cccc(F)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine?
The InChIKey is NCHSTISERHZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-9(2)12(8-14)15-11-6-4-5-10(13)7-11/h4-7,9,12,15H,3,8,14H2,1-2H3.
What are the key properties of 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine?
2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 65382983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).