2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol

C19H31NO — CID 82312791

IUPAC2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C)NC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)16-10-12-17(13-11-16)19(21)15(3)20-18-8-6-4-5-7-9-18/h10-15,18-21H,4-9H2,1-3H3
InChIKeyIXTQPVANIRUXST-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.54
Rot. Bonds5

About 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol

2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 82312791) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID82312791
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)C(C)NC2CCCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)16-10-12-17(13-11-16)19(21)15(3)20-18-8-6-4-5-7-9-18/h10-15,18-21H,4-9H2,1-3H3
InChIKeyIXTQPVANIRUXST-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 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 ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol (CID 82312791) is 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(O)C(C)NC2CCCCCC2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is IXTQPVANIRUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)16-10-12-17(13-11-16)19(21)15(3)20-18-8-6-4-5-7-9-18/h10-15,18-21H,4-9H2,1-3H3.
What are the key properties of 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol?
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 82312791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).