4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline

C15H22ClNO — CID 62125297

IUPAC4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CCl)cc1C
InChIInChI=1S/C15H22ClNO/c1-3-17(11-14-5-4-8-18-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyPVANVNUFMZDZLC-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.74
Rot. Bonds5

About 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline

4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 62125297) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID62125297
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CCl)cc1C
InChIInChI=1S/C15H22ClNO/c1-3-17(11-14-5-4-8-18-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyPVANVNUFMZDZLC-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.74
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

4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62122414
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
4-(aminomethyl)-N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)aniline
CID 107932790
2-(bromomethyl)-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 107081294
[4-[ethyl(oxolan-2-ylmethyl)amino]-3-nitrophenyl]methanol
CID 61434531
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
5-amino-2-[ethyl(oxolan-2-ylmethyl)amino]benzamide
CID 61439301
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
1-N-ethyl-3-N-fluoro-4-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 57108655

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline (CID 62125297) is 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline is CCN(CC1CCCO1)c1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is PVANVNUFMZDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-17(11-14-5-4-8-18-14)15-7-6-13(10-16)9-12(15)2/h6-7,9,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline?
4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 267.80 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 62125297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).