4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine

C13H21ClN2O — CID 112501140

IUPAC4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCN(C)C(C)(CN)CCOc1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-13(10-15,16(2)3)7-8-17-12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeyLOQGAXJJRSSQCV-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.39
Rot. Bonds6

About 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine

4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 112501140) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID112501140
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCN(C)C(C)(CN)CCOc1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-13(10-15,16(2)3)7-8-17-12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeyLOQGAXJJRSSQCV-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94684961
3-(3-chlorophenoxy)propan-1-amine;ethane
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2-N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 119929206
3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
CID 65248872
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
3-(3-chlorophenoxy)propanamide
CID 23512799
2-[3-(3-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817951
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 112501140) is 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine is CN(C)C(C)(CN)CCOc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is LOQGAXJJRSSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-13(10-15,16(2)3)7-8-17-12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3.
What are the key properties of 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine?
4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 112501140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).