1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol

C18H20Cl2N2O — CID 69490564

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
SMILESNc1c(Cl)cc(C(O)CNC(c2ccccc2)C2CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-14-8-13(9-15(20)17(14)21)16(23)10-22-18(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,18,22-23H,6-7,10,21H2
InChIKeyUVQOKRDSJIKKBN-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol

1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol (PubChem CID 69490564) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
PubChem CID69490564
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
SMILESNc1c(Cl)cc(C(O)CNC(c2ccccc2)C2CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-14-8-13(9-15(20)17(14)21)16(23)10-22-18(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,18,22-23H,6-7,10,21H2
InChIKeyUVQOKRDSJIKKBN-UHFFFAOYSA-N
XLogP4.35
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008
1-(4-amino-3,5-dichlorophenyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)ethanol
CID 11834824
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
2-chloro-6-[[[cyclopropyl(phenyl)methyl]amino]methyl]phenol
CID 115904610
1-(4-amino-3,5-dichlorophenyl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)ethanol;but-2-enedioic acid
CID 171150770
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol (CID 69490564) is 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol is Nc1c(Cl)cc(C(O)CNC(c2ccccc2)C2CC2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol?
The InChIKey is UVQOKRDSJIKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-14-8-13(9-15(20)17(14)21)16(23)10-22-18(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,18,22-23H,6-7,10,21H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol?
1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol has a molecular weight of 351.28 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol is sourced from PubChem (CID 69490564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).