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

C18H29NO — CID 61047114

IUPAC2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(C)(CO)NC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(3,13-20)19-17-7-5-4-6-8-17/h9-12,14,17,19-20H,4-8,13H2,1-3H3
InChIKeyPWOGTHLJFKCCTQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds5

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

2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 61047114) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID61047114
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(C)(CO)NC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(3,13-20)19-17-7-5-4-6-8-17/h9-12,14,17,19-20H,4-8,13H2,1-3H3
InChIKeyPWOGTHLJFKCCTQ-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-(4-methylsulfonylphenyl)propan-1-ol
CID 61047112
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
CID 61053941
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 61055167
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 61045823
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol (CID 61047114) is 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(C)(CO)NC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is PWOGTHLJFKCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)15-9-11-16(12-10-15)18(3,13-20)19-17-7-5-4-6-8-17/h9-12,14,17,19-20H,4-8,13H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol?
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 61047114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).