(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol

C18H27NO — CID 104926199

IUPAC(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NC1CCCC(C2CC2)C1
InChIInChI=1S/C18H27NO/c20-13-18(11-14-5-2-1-3-6-14)19-17-8-4-7-16(12-17)15-9-10-15/h1-3,5-6,15-20H,4,7-13H2/t16?,17?,18-/m1/s1
InChIKeyNPCXFGZVOSARSQ-DAWZGUTISA-N
MW273.42 g/mol
LogP3.15
Rot. Bonds6

About (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol

(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol (PubChem CID 104926199) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
PubChem CID104926199
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NC1CCCC(C2CC2)C1
InChIInChI=1S/C18H27NO/c20-13-18(11-14-5-2-1-3-6-14)19-17-8-4-7-16(12-17)15-9-10-15/h1-3,5-6,15-20H,4,7-13H2/t16?,17?,18-/m1/s1
InChIKeyNPCXFGZVOSARSQ-DAWZGUTISA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122649223
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alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
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2-(Benzylamino)-2-phenylethan-1-ol
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(+)-cis-2-Benzylaminocyclohexanemethanol
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CID 15944997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol (CID 104926199) is (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)NC1CCCC(C2CC2)C1.
What is the InChIKey of (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol?
The InChIKey is NPCXFGZVOSARSQ-DAWZGUTISA-N. The full InChI is InChI=1S/C18H27NO/c20-13-18(11-14-5-2-1-3-6-14)19-17-8-4-7-16(12-17)15-9-10-15/h1-3,5-6,15-20H,4,7-13H2/t16?,17?,18-/m1/s1.
What are the key properties of (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol?
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).