1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol

C11H22ClNO — CID 104691333

IUPAC1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
SMILESCCC1CCCCCN1CC(O)CCl
InChIInChI=1S/C11H22ClNO/c1-2-10-6-4-3-5-7-13(10)9-11(14)8-12/h10-11,14H,2-9H2,1H3
InChIKeyUEYDQIRBTRTJHE-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.24
Rot. Bonds4

About 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol

1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol (PubChem CID 104691333) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
PubChem CID104691333
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
SMILESCCC1CCCCCN1CC(O)CCl
InChIInChI=1S/C11H22ClNO/c1-2-10-6-4-3-5-7-13(10)9-11(14)8-12/h10-11,14H,2-9H2,1H3
InChIKeyUEYDQIRBTRTJHE-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-ethylpiperidin-1-yl)-3-(methyldiazenyl)propan-2-ol
CID 67565871
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825
2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366456
1,2-diethylpiperidine
CID 19604037
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 7746013

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol (CID 104691333) is 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol is CCC1CCCCCN1CC(O)CCl.
What is the InChIKey of 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol?
The InChIKey is UEYDQIRBTRTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-2-10-6-4-3-5-7-13(10)9-11(14)8-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol?
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol has a molecular weight of 219.76 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol is sourced from PubChem (CID 104691333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).