4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline

C15H22ClNO2 — CID 116521073

IUPAC4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCC1CCC(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-10-7-13(14(18-4)8-12(10)16)17-9-11-5-6-15(2,3)19-11/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyBBXQWYINPFSXMO-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline

4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline (PubChem CID 116521073) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline
PubChem CID116521073
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCC1CCC(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-10-7-13(14(18-4)8-12(10)16)17-9-11-5-6-15(2,3)19-11/h7-8,11,17H,5-6,9H2,1-4H3
InChIKeyBBXQWYINPFSXMO-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-dimethoxyaniline
CID 116521101
4-chloro-N-(1,3-dioxan-4-ylmethyl)-2-methoxy-5-methylaniline
CID 81101301
4-bromo-2,6-dichloro-N-[(5,5-dimethyloxolan-2-yl)methyl]aniline
CID 116521184
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918442
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
CID 66044486
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
3-chloro-4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline (CID 116521073) is 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NCC1CCC(C)(C)O1.
What is the InChIKey of 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is BBXQWYINPFSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-7-13(14(18-4)8-12(10)16)17-9-11-5-6-15(2,3)19-11/h7-8,11,17H,5-6,9H2,1-4H3.
What are the key properties of 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline?
4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 283.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 116521073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).