2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine

C16H27ClN2 — CID 55069085

IUPAC2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-5-16(11-18-10-13(2)3)19(4)12-14-6-8-15(17)9-7-14/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyTWKWYBFDWQCYMH-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.80
Rot. Bonds8

About 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 55069085) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID55069085
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2/c1-5-16(11-18-10-13(2)3)19(4)12-14-6-8-15(17)9-7-14/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyTWKWYBFDWQCYMH-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422455
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 55069085) is 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is CCC(CNCC(C)C)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is TWKWYBFDWQCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-16(11-18-10-13(2)3)19(4)12-14-6-8-15(17)9-7-14/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 55069085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).