1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol

C17H20Cl2N2O2 — CID 175391074

IUPAC1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol
SMILESCC(O)C(NCC(N)c1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C17H20Cl2N2O2/c1-11(22)17(23-13-5-3-2-4-6-13)21-10-16(20)14-8-7-12(18)9-15(14)19/h2-9,11,16-17,21-22H,10,20H2,1H3
InChIKeyKHGNDHIPWBHPJE-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.37
Rot. Bonds7

About 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol

1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol (PubChem CID 175391074) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol
PubChem CID175391074
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol
SMILESCC(O)C(NCC(N)c1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C17H20Cl2N2O2/c1-11(22)17(23-13-5-3-2-4-6-13)21-10-16(20)14-8-7-12(18)9-15(14)19/h2-9,11,16-17,21-22H,10,20H2,1H3
InChIKeyKHGNDHIPWBHPJE-UHFFFAOYSA-N
XLogP3.37
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol?
The IUPAC name of 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol (CID 175391074) is 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol?
The canonical SMILES for 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol is CC(O)C(NCC(N)c1ccc(Cl)cc1Cl)Oc1ccccc1.
What is the InChIKey of 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol?
The InChIKey is KHGNDHIPWBHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-11(22)17(23-13-5-3-2-4-6-13)21-10-16(20)14-8-7-12(18)9-15(14)19/h2-9,11,16-17,21-22H,10,20H2,1H3.
What are the key properties of 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol?
1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol has a molecular weight of 355.27 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-2-(2,4-dichlorophenyl)ethyl]amino]-1-phenoxypropan-2-ol is sourced from PubChem (CID 175391074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).