1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol

C17H19ClN2O — CID 23265386

IUPAC1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-14(21)12-20(13-15-6-3-2-4-7-15)19-11-16-8-5-9-17(18)10-16/h2-11,14,21H,12-13H2,1H3/b19-11-
InChIKeyKERBOVMBOUXGHW-ODLFYWEKSA-N
MW302.81 g/mol
LogP3.56
Rot. Bonds6

About 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol

1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol (PubChem CID 23265386) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol
PubChem CID23265386
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)/N=C\c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-14(21)12-20(13-15-6-3-2-4-7-15)19-11-16-8-5-9-17(18)10-16/h2-11,14,21H,12-13H2,1H3/b19-11-
InChIKeyKERBOVMBOUXGHW-ODLFYWEKSA-N
XLogP3.56
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.56
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

2-[3,6-Bis(2-chlorophenyl)-4-ethyl-1,2,4,5-tetrazin-1-yl]ethanol
CID 12912737
3-(3,4-Dichlorophenyl)-2-(2-hydroxypropyl)-4,5-dihydropyridazin
CID 21568176
3-(3,4-Dichlorophenyl)-2-(2-hydroxyhexyl)-4,5-dihydropyridazin
CID 22751156
2-[Benzyl-[(3-chlorophenyl)methyl]amino]ethanol
CID 4420851
trans-(1R,2R)-2-[benzyl-[(E)-(4-chlorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10246805
trans-(1R,2R)-2-[[(E)-(3-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10378276
trans-(1R,2R)-2-[benzyl-[(E)-(3-chlorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10405147
1-[benzyl-[(Z)-(4-chlorophenyl)methylideneamino]amino]propan-2-ol
CID 23265387
2-[benzyl-[(Z)-1-(4-chlorophenyl)ethylideneamino]amino]ethanol
CID 23265388
1-[benzyl-[(Z)-benzylideneamino]amino]propan-2-ol
CID 23265397
1-[benzyl-[(Z)-(3-methylphenyl)methylideneamino]amino]propan-2-ol
CID 23265455
1-[Benzyl(methyl)amino]-3-[(3-chlorophenyl)methyl-methylamino]propan-2-ol
CID 56318725

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol (CID 23265386) is 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol is CC(O)CN(Cc1ccccc1)/N=C\c1cccc(Cl)c1.
What is the InChIKey of 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol?
The InChIKey is KERBOVMBOUXGHW-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-14(21)12-20(13-15-6-3-2-4-7-15)19-11-16-8-5-9-17(18)10-16/h2-11,14,21H,12-13H2,1H3/b19-11-.
What are the key properties of 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol?
1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol has a molecular weight of 302.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(Z)-(3-chlorophenyl)methylideneamino]amino]propan-2-ol is sourced from PubChem (CID 23265386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).