2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine

C16H27ClN2 — CID 62980376

IUPAC2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-12(2)10-16(4,11-18)19(5)13(3)14-7-6-8-15(17)9-14/h6-9,12-13H,10-11,18H2,1-5H3
InChIKeyXJDPRNUGZINUQA-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.10
Rot. Bonds6

About 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine

2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine (PubChem CID 62980376) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine
PubChem CID62980376
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-12(2)10-16(4,11-18)19(5)13(3)14-7-6-8-15(17)9-14/h6-9,12-13H,10-11,18H2,1-5H3
InChIKeyXJDPRNUGZINUQA-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
3-[1-(3-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 62984348
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine (CID 62980376) is 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine is CC(C)CC(C)(CN)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine?
The InChIKey is XJDPRNUGZINUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-12(2)10-16(4,11-18)19(5)13(3)14-7-6-8-15(17)9-14/h6-9,12-13H,10-11,18H2,1-5H3.
What are the key properties of 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine?
2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)ethyl]-2-N,2,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62980376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).