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

C14H23ClN2 — CID 115203453

IUPACN'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-12(11-16)7-9-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3
InChIKeyIDQWMBJGVXSBJK-UHFFFAOYSA-N
MW254.80 g/mol
LogP2.80
Rot. Bonds7

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

N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine (PubChem CID 115203453) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
PubChem CID115203453
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-12(11-16)7-9-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3
InChIKeyIDQWMBJGVXSBJK-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
3-[2-(4-chlorophenyl)ethyl-methylamino]propanenitrile
CID 94259030
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine (CID 115203453) is N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine is CC(CN)CCN(C)CCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The InChIKey is IDQWMBJGVXSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-12(11-16)7-9-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine has a molecular weight of 254.80 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115203453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).