1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol

C9H18ClNO2 — CID 106439852

IUPAC1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(C)=CCl
InChIInChI=1S/C9H18ClNO2/c1-8(4-10)5-11(2)6-9(12)7-13-3/h4,9,12H,5-7H2,1-3H3
InChIKeyCNQQZZMFZQMRRT-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.07
Rot. Bonds6

About 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol

1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 106439852) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID106439852
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(C)=CCl
InChIInChI=1S/C9H18ClNO2/c1-8(4-10)5-11(2)6-9(12)7-13-3/h4,9,12H,5-7H2,1-3H3
InChIKeyCNQQZZMFZQMRRT-UHFFFAOYSA-N
XLogP1.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol (CID 106439852) is 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CC(C)=CCl.
What is the InChIKey of 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is CNQQZZMFZQMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(4-10)5-11(2)6-9(12)7-13-3/h4,9,12H,5-7H2,1-3H3.
What are the key properties of 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol?
1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 207.70 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 106439852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).