1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine

C16H27ClN2 — CID 79061666

IUPAC1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-5-16(6-2,19(7-3)8-4)15(18)13-11-9-10-12-14(13)17/h9-12,15H,5-8,18H2,1-4H3
InChIKeyBYBCRARGWVWVPX-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.24
Rot. Bonds7

About 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine

1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine (PubChem CID 79061666) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
PubChem CID79061666
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-5-16(6-2,19(7-3)8-4)15(18)13-11-9-10-12-14(13)17/h9-12,15H,5-8,18H2,1-4H3
InChIKeyBYBCRARGWVWVPX-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
CID 116760606
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79062206
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
CID 82042176
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine (CID 79061666) is 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The InChIKey is BYBCRARGWVWVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-16(6-2,19(7-3)8-4)15(18)13-11-9-10-12-14(13)17/h9-12,15H,5-8,18H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine is sourced from PubChem (CID 79061666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).