2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine

C13H18ClF3N2 — CID 116699186

IUPAC2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18ClF3N2/c1-3-8(2)12(7-18)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,12,19H,3,7,18H2,1-2H3
InChIKeyGUKRJUALCBJPIU-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.14
Rot. Bonds5

About 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine

2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine (PubChem CID 116699186) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
PubChem CID116699186
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18ClF3N2/c1-3-8(2)12(7-18)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,12,19H,3,7,18H2,1-2H3
InChIKeyGUKRJUALCBJPIU-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylpentane-1,2-diamine
CID 116699247
3-[3-chloro-5-(trifluoromethyl)anilino]pentanenitrile
CID 116699483
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
3-chloro-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 116699143
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
ethyl (2R)-5-amino-2-[3-chloro-5-(trifluoromethyl)anilino]pentanoate
CID 162612299
N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116699209
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
1-(4-chlorothiophen-2-yl)-N-[3-chloro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116699256
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
3-bromo-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)aniline
CID 65489006

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine (CID 116699186) is 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine is CCC(C)C(CN)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine?
The InChIKey is GUKRJUALCBJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-3-8(2)12(7-18)19-11-5-9(13(15,16)17)4-10(14)6-11/h4-6,8,12,19H,3,7,18H2,1-2H3.
What are the key properties of 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine?
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine has a molecular weight of 294.75 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine is sourced from PubChem (CID 116699186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).