1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

C14H22ClNO2 — CID 164906466

IUPAC1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-11(2)18-10-14(17)9-16-7-6-12-4-3-5-13(15)8-12/h3-5,8,11,14,16-17H,6-7,9-10H2,1-2H3
InChIKeySDZMAUNQBZHKOL-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.26
Rot. Bonds8

About 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 164906466) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID164906466
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-11(2)18-10-14(17)9-16-7-6-12-4-3-5-13(15)8-12/h3-5,8,11,14,16-17H,6-7,9-10H2,1-2H3
InChIKeySDZMAUNQBZHKOL-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
1-propan-2-yloxy-3-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81426934
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 164906466) is 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is SDZMAUNQBZHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(2)18-10-14(17)9-16-7-6-12-4-3-5-13(15)8-12/h3-5,8,11,14,16-17H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 164906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).