(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol

C18H21NO — CID 107862540

IUPAC(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-13-18(17-4-2-1-3-5-17)19-12-14-6-8-15(9-7-14)16-10-11-16/h1-9,16,18-20H,10-13H2/t18-/m0/s1
InChIKeyDHQGTUMVRYXJBU-SFHVURJKSA-N
MW267.37 g/mol
LogP3.39
Rot. Bonds6

About (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol

(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol (PubChem CID 107862540) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
PubChem CID107862540
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-13-18(17-4-2-1-3-5-17)19-12-14-6-8-15(9-7-14)16-10-11-16/h1-9,16,18-20H,10-13H2/t18-/m0/s1
InChIKeyDHQGTUMVRYXJBU-SFHVURJKSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
CID 107862523
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
(2R)-2-[(1-cyclobutylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 167749691
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol (CID 107862540) is (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol is OC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol?
The InChIKey is DHQGTUMVRYXJBU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c20-13-18(17-4-2-1-3-5-17)19-12-14-6-8-15(9-7-14)16-10-11-16/h1-9,16,18-20H,10-13H2/t18-/m0/s1.
What are the key properties of (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol?
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol has a molecular weight of 267.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 107862540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).