2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine

C14H23ClN2 — CID 65384865

IUPAC2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)Nc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-3-5-9-14(4-2,11-16)17-13-8-6-7-12(15)10-13/h6-8,10,17H,3-5,9,11,16H2,1-2H3
InChIKeyOYAATOUESLFYTM-UHFFFAOYSA-N
MW254.81 g/mol
LogP4.05
Rot. Bonds7

About 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine

2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine (PubChem CID 65384865) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine
PubChem CID65384865
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine
SMILESCCCCC(CC)(CN)Nc1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-3-5-9-14(4-2,11-16)17-13-8-6-7-12(15)10-13/h6-8,10,17H,3-5,9,11,16H2,1-2H3
InChIKeyOYAATOUESLFYTM-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-ethylhexanenitrile
CID 63951845
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CID 107364435
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
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1-(3-chlorophenyl)-3-[(4S)-4-[[(3-chlorophenyl)carbamoylamino]methyl]-4-ethyloctyl]urea
CID 27255107
1-chloro-3-octylbenzene
CID 11458768
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
butane;1,3-dichlorobenzene
CID 174455068

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine (CID 65384865) is 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine is CCCCC(CC)(CN)Nc1cccc(Cl)c1.
What is the InChIKey of 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine?
The InChIKey is OYAATOUESLFYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-3-5-9-14(4-2,11-16)17-13-8-6-7-12(15)10-13/h6-8,10,17H,3-5,9,11,16H2,1-2H3.
What are the key properties of 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine?
2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine has a molecular weight of 254.81 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine is sourced from PubChem (CID 65384865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).