1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine

C10H20ClNO — CID 65026234

IUPAC1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)(CCl)NCC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyXORSYTNVBBLYDL-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.02
Rot. Bonds4

About 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine

1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine (PubChem CID 65026234) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
PubChem CID65026234
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)(CCl)NCC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyXORSYTNVBBLYDL-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
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 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine (CID 65026234) is 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine is CC(C)(CCl)NCC1CCOCC1.
What is the InChIKey of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
The InChIKey is XORSYTNVBBLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-10(2,8-11)12-7-9-3-5-13-6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine?
1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine has a molecular weight of 205.73 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 65026234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).