1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol

C14H22ClNO2 — CID 82312948

IUPAC1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
SMILESCC(C)OCCCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-11(2)18-9-3-8-16-10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,16-17H,3,8-10H2,1-2H3
InChIKeyAKIIZGJQNYWGEI-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds8

About 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol

1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol (PubChem CID 82312948) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
PubChem CID82312948
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
SMILESCC(C)OCCCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-11(2)18-9-3-8-16-10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,16-17H,3,8-10H2,1-2H3
InChIKeyAKIIZGJQNYWGEI-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312624
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol (CID 82312948) is 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol is CC(C)OCCCNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The InChIKey is AKIIZGJQNYWGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(2)18-9-3-8-16-10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,16-17H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol is sourced from PubChem (CID 82312948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).