N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C15H25ClN2 — CID 55088980

IUPACN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-5-15(2,3)17-10-11-18(4)12-13-6-8-14(16)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyTWNLMTJPUXFERD-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.55
Rot. Bonds7

About N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 55088980) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID55088980
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-5-15(2,3)17-10-11-18(4)12-13-6-8-14(16)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyTWNLMTJPUXFERD-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 55088980) is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)NCCN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is TWNLMTJPUXFERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-15(2,3)17-10-11-18(4)12-13-6-8-14(16)9-7-13/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55088980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).