3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

C16H22F3NO — CID 64758826

IUPAC3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESOCC(Cc1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c17-16(18,19)13-7-4-8-14(10-13)20-15(11-21)9-12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2
InChIKeyJGMULJINVIETBO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.30
Rot. Bonds5

About 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (PubChem CID 64758826) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
PubChem CID64758826
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESOCC(Cc1ccccc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c17-16(18,19)13-7-4-8-14(10-13)20-15(11-21)9-12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2
InChIKeyJGMULJINVIETBO-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (CID 64758826) is 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is OCC(Cc1ccccc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The InChIKey is JGMULJINVIETBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c17-16(18,19)13-7-4-8-14(10-13)20-15(11-21)9-12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2.
What are the key properties of 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 64758826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).