2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine

C14H22ClFN2 — CID 107364651

IUPAC2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H22ClFN2/c1-10(2)4-5-14(3,9-17)18-13-7-11(15)6-12(16)8-13/h6-8,10,18H,4-5,9,17H2,1-3H3
InChIKeyDSNQUMGPYCNVHD-UHFFFAOYSA-N
MW272.80 g/mol
LogP4.04
Rot. Bonds6

About 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine

2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine (PubChem CID 107364651) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine
PubChem CID107364651
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Name2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H22ClFN2/c1-10(2)4-5-14(3,9-17)18-13-7-11(15)6-12(16)8-13/h6-8,10,18H,4-5,9,17H2,1-3H3
InChIKeyDSNQUMGPYCNVHD-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 107364427
2-N-(3-chloro-4-methylphenyl)-2,5-dimethylhexane-1,2-diamine
CID 104721876
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine
CID 107364435
5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
CID 107365873
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
2-N-(2-chloro-5-fluorophenyl)-2,4-dimethylpentane-1,2-diamine
CID 107527946
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
1-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)thiourea
CID 103773082
3-(3-amino-5-fluoroanilino)-3-methylpentan-1-ol
CID 106166911

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine?
The IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine (CID 107364651) is 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine is CC(C)CCC(C)(CN)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine?
The InChIKey is DSNQUMGPYCNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2/c1-10(2)4-5-14(3,9-17)18-13-7-11(15)6-12(16)8-13/h6-8,10,18H,4-5,9,17H2,1-3H3.
What are the key properties of 2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine?
2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine has a molecular weight of 272.80 g/mol, XLogP of 4.04, 6 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-fluorophenyl)-2,5-dimethylhexane-1,2-diamine is sourced from PubChem (CID 107364651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).