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

C15H25ClN2 — CID 114285473

IUPACN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC(C)(C)CCN
InChIInChI=1S/C15H25ClN2/c1-12(13-5-7-14(16)8-6-13)18(4)11-15(2,3)9-10-17/h5-8,12H,9-11,17H2,1-4H3
InChIKeyGEHQFPXTXRVTDK-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.71
Rot. Bonds6

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

N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 114285473) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
PubChem CID114285473
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC(C)(C)CCN
InChIInChI=1S/C15H25ClN2/c1-12(13-5-7-14(16)8-6-13)18(4)11-15(2,3)9-10-17/h5-8,12H,9-11,17H2,1-4H3
InChIKeyGEHQFPXTXRVTDK-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62984708
1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62979231
3-[1-(4-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 55140473
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 55142601
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine (CID 114285473) is N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine is CC(c1ccc(Cl)cc1)N(C)CC(C)(C)CCN.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is GEHQFPXTXRVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(13-5-7-14(16)8-6-13)18(4)11-15(2,3)9-10-17/h5-8,12H,9-11,17H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine?
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 114285473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).