(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol

C16H24N2O — CID 59094751

IUPAC(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)N=C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-13(16(19)14-9-5-3-6-10-14)18(2)17-15-11-7-4-8-12-15/h3,5-6,9-10,13,16,19H,4,7-8,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyHARSYLKUECRFRT-CJNGLKHVSA-N
MW260.38 g/mol
LogP3.36
Rot. Bonds4

About (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol

(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol (PubChem CID 59094751) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
PubChem CID59094751
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)N=C1CCCCC1
InChIInChI=1S/C16H24N2O/c1-13(16(19)14-9-5-3-6-10-14)18(2)17-15-11-7-4-8-12-15/h3,5-6,9-10,13,16,19H,4,7-8,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyHARSYLKUECRFRT-CJNGLKHVSA-N
XLogP3.36
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
CID 163604644
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
CID 10902251
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
CID 52937623
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol (CID 59094751) is (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol is C[C@H]([C@H](O)c1ccccc1)N(C)N=C1CCCCC1.
What is the InChIKey of (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is HARSYLKUECRFRT-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(16(19)14-9-5-3-6-10-14)18(2)17-15-11-7-4-8-12-15/h3,5-6,9-10,13,16,19H,4,7-8,11-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol?
(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 59094751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).