6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol

C15H24ClNO — CID 113251904

IUPAC6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
SMILESCC(c1ccccc1Cl)N(C)CCCCCCO
InChIInChI=1S/C15H24ClNO/c1-13(14-9-5-6-10-15(14)16)17(2)11-7-3-4-8-12-18/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyNROUXTJUWHDMMI-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.89
Rot. Bonds8

About 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol

6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol (PubChem CID 113251904) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
PubChem CID113251904
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
SMILESCC(c1ccccc1Cl)N(C)CCCCCCO
InChIInChI=1S/C15H24ClNO/c1-13(14-9-5-6-10-15(14)16)17(2)11-7-3-4-8-12-18/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyNROUXTJUWHDMMI-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62983621
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62985277
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
CID 115342075
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol?
The IUPAC name of 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol (CID 113251904) is 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol.
What is the SMILES notation for 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol?
The canonical SMILES for 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol is CC(c1ccccc1Cl)N(C)CCCCCCO.
What is the InChIKey of 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol?
The InChIKey is NROUXTJUWHDMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-13(14-9-5-6-10-15(14)16)17(2)11-7-3-4-8-12-18/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol?
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol is sourced from PubChem (CID 113251904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).