1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol

C12H18ClNO — CID 121016044

IUPAC1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(C)C(O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyAYLNPVNAYHALEK-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol

1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol (PubChem CID 121016044) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
PubChem CID121016044
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
SMILESCC(C)C(O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyAYLNPVNAYHALEK-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
1-bromo-2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]ethanamine;2-(4-chlorophenyl)ethanol;propan-2-ol
CID 67017125
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
CID 114279894
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol (CID 121016044) is 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol is CC(C)C(O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is AYLNPVNAYHALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol?
1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 227.74 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 121016044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).