1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine

C15H24ClNO — CID 62671081

IUPAC1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(COc1ccc(C)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-6-17-14(15(3,4)5)10-18-13-8-7-11(2)9-12(13)16/h7-9,14,17H,6,10H2,1-5H3
InChIKeyMUEIDXAINDXIAZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine

1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 62671081) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID62671081
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(COc1ccc(C)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-6-17-14(15(3,4)5)10-18-13-8-7-11(2)9-12(13)16/h7-9,14,17H,6,10H2,1-5H3
InChIKeyMUEIDXAINDXIAZ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
CID 55104805
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
1-[2-(bromomethyl)butoxy]-2-chloro-4-methylbenzene
CID 64995229
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366797
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
2-[(2-chloro-4-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013058

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine (CID 62671081) is 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(COc1ccc(C)cc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is MUEIDXAINDXIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-17-14(15(3,4)5)10-18-13-8-7-11(2)9-12(13)16/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62671081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).