1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol

C15H24ClNO — CID 113287471

IUPAC1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
SMILESCC(C)CCCCNCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-12(2)7-5-6-10-17-11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17-18H,5-7,10-11H2,1-2H3
InChIKeyIAAJJRVBSANGCO-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.79
Rot. Bonds8

About 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol

1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol (PubChem CID 113287471) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
PubChem CID113287471
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
SMILESCC(C)CCCCNCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-12(2)7-5-6-10-17-11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17-18H,5-7,10-11H2,1-2H3
InChIKeyIAAJJRVBSANGCO-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.79
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

1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(3-methylsulfanylbutylamino)ethanol
CID 113493949
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol (CID 113287471) is 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol is CC(C)CCCCNCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol?
The InChIKey is IAAJJRVBSANGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)7-5-6-10-17-11-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,12,15,17-18H,5-7,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol?
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol has a molecular weight of 269.82 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol is sourced from PubChem (CID 113287471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).