(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol

C17H19NO — CID 101116812

IUPAC(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
SMILESCc1ccc(/C=N/[C@H](C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-13-8-10-15(11-9-13)12-18-14(2)17(19)16-6-4-3-5-7-16/h3-12,14,17,19H,1-2H3/b18-12+/t14-,17+/m1/s1
InChIKeyONPNIOQSTHKNEA-UUFXGUJGSA-N
MW253.35 g/mol
LogP3.54
Rot. Bonds4

About (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol

(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol (PubChem CID 101116812) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
PubChem CID101116812
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
SMILESCc1ccc(/C=N/[C@H](C)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-13-8-10-15(11-9-13)12-18-14(2)17(19)16-6-4-3-5-7-16/h3-12,14,17,19H,1-2H3/b18-12+/t14-,17+/m1/s1
InChIKeyONPNIOQSTHKNEA-UUFXGUJGSA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
CID 46222276
CID 46222276
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
1-(benzylideneamino)ethanol
CID 66697160
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
CID 96886075
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225
2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide
CID 72616094
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol (CID 101116812) is (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol is Cc1ccc(/C=N/[C@H](C)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol?
The InChIKey is ONPNIOQSTHKNEA-UUFXGUJGSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-10-15(11-9-13)12-18-14(2)17(19)16-6-4-3-5-7-16/h3-12,14,17,19H,1-2H3/b18-12+/t14-,17+/m1/s1.
What are the key properties of (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol?
(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 101116812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).