3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol

C17H20ClNO2 — CID 72751636

IUPAC3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(NC(c2ccc(Cl)cc2)C(C)CO)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(11-20)17(13-3-5-14(18)6-4-13)19-15-7-9-16(21-2)10-8-15/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyLGZAYYKADBPWGI-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.13
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol

3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol (PubChem CID 72751636) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
PubChem CID72751636
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(NC(c2ccc(Cl)cc2)C(C)CO)cc1
InChIInChI=1S/C17H20ClNO2/c1-12(11-20)17(13-3-5-14(18)6-4-13)19-15-7-9-16(21-2)10-8-15/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyLGZAYYKADBPWGI-UHFFFAOYSA-N
XLogP4.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S,4S,5S)-5-(4-chlorophenyl)-2,3-dihydroxy-5-(4-methoxyanilino)-4-methylpentanoate
CID 102178402
(3R,4R)-1-tert-butylsulfinyl-4-(4-chlorophenyl)-4-(4-methoxyanilino)-3-methylbutan-2-one
CID 102167729
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 18137531
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
CID 114201074
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 53474824
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol (CID 72751636) is 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol is COc1ccc(NC(c2ccc(Cl)cc2)C(C)CO)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol?
The InChIKey is LGZAYYKADBPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(11-20)17(13-3-5-14(18)6-4-13)19-15-7-9-16(21-2)10-8-15/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol?
3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(4-methoxyanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 72751636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).