2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol

C16H25NO — CID 61310488

IUPAC2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)(CO)NC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-7-6-8-14(11-13)16(2,12-18)17-15-9-4-3-5-10-15/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyOANFHXZJAZDQNX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol

2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol (PubChem CID 61310488) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
PubChem CID61310488
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(C)(CO)NC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-7-6-8-14(11-13)16(2,12-18)17-15-9-4-3-5-10-15/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyOANFHXZJAZDQNX-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
CID 61053941
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
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-(4-methylsulfonylphenyl)propan-1-ol
CID 61047112
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
CID 61309688

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol (CID 61310488) is 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(C)(CO)NC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is OANFHXZJAZDQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-7-6-8-14(11-13)16(2,12-18)17-15-9-4-3-5-10-15/h6-8,11,15,17-18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol?
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 61310488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).