3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol

C13H20ClNO — CID 81414344

IUPAC3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-13(2,10-16)9-15-8-7-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyNDORTCIMWXUTMX-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.49
Rot. Bonds6

About 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol

3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81414344) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID81414344
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-13(2,10-16)9-15-8-7-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyNDORTCIMWXUTMX-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
5-[2-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113242821
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414337
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200137
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
N,N'-bis[2-(4-chlorophenyl)ethyl]octane-1,8-diamine;dihydrobromide
CID 3029595
N,N'-bis[2-(4-chlorophenyl)ethyl]hexane-1,6-diamine;dihydrobromide
CID 3028564
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol (CID 81414344) is 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is NDORTCIMWXUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,10-16)9-15-8-7-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).