2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol

C7H14ClNO — CID 103067672

IUPAC2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
SMILESC=C(CCl)CN(C)CCO
InChIInChI=1S/C7H14ClNO/c1-7(5-8)6-9(2)3-4-10/h10H,1,3-6H2,2H3
InChIKeyPVCVKCOXXHDIJQ-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.71
Rot. Bonds5

About 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol

2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol (PubChem CID 103067672) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
PubChem CID103067672
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
SMILESC=C(CCl)CN(C)CCO
InChIInChI=1S/C7H14ClNO/c1-7(5-8)6-9(2)3-4-10/h10H,1,3-6H2,2H3
InChIKeyPVCVKCOXXHDIJQ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073312
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
CID 103067751
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
4-[2-hydroxyethyl(methyl)amino]-3-methylbut-2-enoic acid
CID 77005874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol (CID 103067672) is 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol is C=C(CCl)CN(C)CCO.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol?
The InChIKey is PVCVKCOXXHDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(5-8)6-9(2)3-4-10/h10H,1,3-6H2,2H3.
What are the key properties of 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol?
2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol has a molecular weight of 163.65 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol is sourced from PubChem (CID 103067672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).