N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine

C14H23ClN2 — CID 81080490

IUPACN'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-11(10-16)7-8-17(3)12(2)13-5-4-6-14(15)9-13/h4-6,9,11-12H,7-8,10,16H2,1-3H3
InChIKeyJBWZNZDTBJZHKB-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.32
Rot. Bonds6

About N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine

N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine (PubChem CID 81080490) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
PubChem CID81080490
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H23ClN2/c1-11(10-16)7-8-17(3)12(2)13-5-4-6-14(15)9-13/h4-6,9,11-12H,7-8,10,16H2,1-3H3
InChIKeyJBWZNZDTBJZHKB-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
N-[1-(3-chlorophenyl)ethyl]-3,3-diethoxy-N-methylpropan-1-amine
CID 63630291
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine (CID 81080490) is N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine is CC(CN)CCN(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The InChIKey is JBWZNZDTBJZHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(10-16)7-8-17(3)12(2)13-5-4-6-14(15)9-13/h4-6,9,11-12H,7-8,10,16H2,1-3H3.
What are the key properties of N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine?
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 81080490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).