1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol

C11H22ClNO — CID 112561400

IUPAC1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CCl)CC1CCCCC1
InChIInChI=1S/C11H22ClNO/c1-13(9-11(14)7-12)8-10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3
InChIKeyIWQRQFAHCDLTED-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.10
Rot. Bonds5

About 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol

1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol (PubChem CID 112561400) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
PubChem CID112561400
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)CCl)CC1CCCCC1
InChIInChI=1S/C11H22ClNO/c1-13(9-11(14)7-12)8-10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3
InChIKeyIWQRQFAHCDLTED-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.10
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

1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317593
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477
1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111116685
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol (CID 112561400) is 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol is CN(CC(O)CCl)CC1CCCCC1.
What is the InChIKey of 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol?
The InChIKey is IWQRQFAHCDLTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-13(9-11(14)7-12)8-10-5-3-2-4-6-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol?
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol has a molecular weight of 219.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 112561400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).