2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

C9H18ClNO — CID 63387634

IUPAC2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(Cl)CN(C)CC1CCCO1
InChIInChI=1S/C9H18ClNO/c1-8(10)6-11(2)7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3
InChIKeyMMHBOQPHOYLXLG-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.72
Rot. Bonds4

About 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine

2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 63387634) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID63387634
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(Cl)CN(C)CC1CCCO1
InChIInChI=1S/C9H18ClNO/c1-8(10)6-11(2)7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3
InChIKeyMMHBOQPHOYLXLG-UHFFFAOYSA-N
XLogP1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 63387634) is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC(Cl)CN(C)CC1CCCO1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is MMHBOQPHOYLXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8(10)6-11(2)7-9-4-3-5-12-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine?
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 191.70 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63387634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).