4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol

C19H31NO — CID 114459281

IUPAC4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
SMILESCc1ccc(C(CN)C(O)CC2CCCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-14-9-10-17(11-15(14)2)18(13-20)19(21)12-16-7-5-3-4-6-8-16/h9-11,16,18-19,21H,3-8,12-13,20H2,1-2H3
InChIKeyUOHNUDKHMQKVGH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.07
Rot. Bonds5

About 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol

4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol (PubChem CID 114459281) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
PubChem CID114459281
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
SMILESCc1ccc(C(CN)C(O)CC2CCCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-14-9-10-17(11-15(14)2)18(13-20)19(21)12-16-7-5-3-4-6-8-16/h9-11,16,18-19,21H,3-8,12-13,20H2,1-2H3
InChIKeyUOHNUDKHMQKVGH-UHFFFAOYSA-N
XLogP4.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524
3-amino-2-(3,4-dimethylphenyl)-1-(1,1-dioxothian-2-yl)propan-1-ol
CID 104522717
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
1-amino-2-(3,4-dimethylphenyl)-5-ethoxypentan-3-ol
CID 65189536
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
CID 65190596
4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
CID 114459269
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol
CID 65190163
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol (CID 114459281) is 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol is Cc1ccc(C(CN)C(O)CC2CCCCCC2)cc1C.
What is the InChIKey of 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol?
The InChIKey is UOHNUDKHMQKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-9-10-17(11-15(14)2)18(13-20)19(21)12-16-7-5-3-4-6-8-16/h9-11,16,18-19,21H,3-8,12-13,20H2,1-2H3.
What are the key properties of 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol?
4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 114459281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).