(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol

C15H24ClNO — CID 63372657

IUPAC(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
SMILESCC(N(C)c1ccc([C@@H](C)O)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-10(18)12-7-8-14(13(16)9-12)17(6)11(2)15(3,4)5/h7-11,18H,1-6H3/t10-,11?/m1/s1
InChIKeyBCOMSIWUDVJAPW-NFJWQWPMSA-N
MW269.82 g/mol
LogP4.26
Rot. Bonds3

About (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol

(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol (PubChem CID 63372657) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
PubChem CID63372657
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
SMILESCC(N(C)c1ccc([C@@H](C)O)cc1Cl)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-10(18)12-7-8-14(13(16)9-12)17(6)11(2)15(3,4)5/h7-11,18H,1-6H3/t10-,11?/m1/s1
InChIKeyBCOMSIWUDVJAPW-NFJWQWPMSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881
2-chloro-N-(3,3-dimethylbutan-2-yl)-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 63533449
(1S)-1-[3-chloro-4-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955161
(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372612
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 62980067
4-[(tert-butylamino)methyl]-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81143688
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
(1R)-1-[3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanol
CID 103189805
(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol (CID 63372657) is (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol is CC(N(C)c1ccc([C@@H](C)O)cc1Cl)C(C)(C)C.
What is the InChIKey of (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The InChIKey is BCOMSIWUDVJAPW-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(18)12-7-8-14(13(16)9-12)17(6)11(2)15(3,4)5/h7-11,18H,1-6H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol has a molecular weight of 269.82 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 63372657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).