4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine

C12H18ClNO — CID 94684961

IUPAC4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyQJRCQEJKZUEAIX-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.11
Rot. Bonds5

About 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine

4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine (PubChem CID 94684961) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
PubChem CID94684961
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
SMILESCNC(C)(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyQJRCQEJKZUEAIX-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenoxy)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 112501140
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
3-(3-chlorophenoxy)propanal
CID 63040616
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
2-N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 119929206
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine?
The IUPAC name of 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine (CID 94684961) is 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine is CNC(C)(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine?
The InChIKey is QJRCQEJKZUEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,14-3)7-8-15-11-6-4-5-10(13)9-11/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine?
4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 94684961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).