1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol

C15H24ClNO2 — CID 114491618

IUPAC1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNCc1cc(Cl)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C15H24ClNO2/c1-5-17-9-12-8-13(16)6-7-14(12)19-10-15(4,18)11(2)3/h6-8,11,17-18H,5,9-10H2,1-4H3
InChIKeyZKBGOOSFDXLLTR-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol

1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491618) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491618
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNCc1cc(Cl)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C15H24ClNO2/c1-5-17-9-12-8-13(16)6-7-14(12)19-10-15(4,18)11(2)3/h6-8,11,17-18H,5,9-10H2,1-4H3
InChIKeyZKBGOOSFDXLLTR-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 107696197
5-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256565
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
CID 114492190

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol (CID 114491618) is 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol is CCNCc1cc(Cl)ccc1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is ZKBGOOSFDXLLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-5-17-9-12-8-13(16)6-7-14(12)19-10-15(4,18)11(2)3/h6-8,11,17-18H,5,9-10H2,1-4H3.
What are the key properties of 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol?
1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 285.82 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).