2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

C14H20ClNO — CID 61432443

IUPAC2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccccc1CCl
InChIInChI=1S/C14H20ClNO/c1-16(11-13-7-4-5-9-17-13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9-11H2,1H3
InChIKeyYQVLKZXZYIVNCF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.43
Rot. Bonds4

About 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 61432443) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID61432443
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCN(CC1CCCCO1)c1ccccc1CCl
InChIInChI=1S/C14H20ClNO/c1-16(11-13-7-4-5-9-17-13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9-11H2,1H3
InChIKeyYQVLKZXZYIVNCF-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 115994967
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 61432443) is 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is CN(CC1CCCCO1)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is YQVLKZXZYIVNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(11-13-7-4-5-9-17-13)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9-11H2,1H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 253.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 61432443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).