N-(chloromethyl)-3,4-dimethoxy-N-methylaniline

C10H14ClNO2 — CID 115262807

IUPACN-(chloromethyl)-3,4-dimethoxy-N-methylaniline
SMILESCOc1ccc(N(C)CCl)cc1OC
InChIInChI=1S/C10H14ClNO2/c1-12(7-11)8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3
InChIKeyDIPYZGRWERCPGP-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.34
Rot. Bonds4

About N-(chloromethyl)-3,4-dimethoxy-N-methylaniline

N-(chloromethyl)-3,4-dimethoxy-N-methylaniline (PubChem CID 115262807) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(chloromethyl)-3,4-dimethoxy-N-methylaniline.

Molecular Properties

Compound NameN-(chloromethyl)-3,4-dimethoxy-N-methylaniline
PubChem CID115262807
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(chloromethyl)-3,4-dimethoxy-N-methylaniline
SMILESCOc1ccc(N(C)CCl)cc1OC
InChIInChI=1S/C10H14ClNO2/c1-12(7-11)8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3
InChIKeyDIPYZGRWERCPGP-UHFFFAOYSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
2-(3,4-dimethoxy-N-prop-2-enoylanilino)acetic acid
CID 125473237

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-3,4-dimethoxy-N-methylaniline?
The IUPAC name of N-(chloromethyl)-3,4-dimethoxy-N-methylaniline (CID 115262807) is N-(chloromethyl)-3,4-dimethoxy-N-methylaniline.
What is the SMILES notation for N-(chloromethyl)-3,4-dimethoxy-N-methylaniline?
The canonical SMILES for N-(chloromethyl)-3,4-dimethoxy-N-methylaniline is COc1ccc(N(C)CCl)cc1OC.
What is the InChIKey of N-(chloromethyl)-3,4-dimethoxy-N-methylaniline?
The InChIKey is DIPYZGRWERCPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-12(7-11)8-4-5-9(13-2)10(6-8)14-3/h4-6H,7H2,1-3H3.
What are the key properties of N-(chloromethyl)-3,4-dimethoxy-N-methylaniline?
N-(chloromethyl)-3,4-dimethoxy-N-methylaniline has a molecular weight of 215.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-3,4-dimethoxy-N-methylaniline is sourced from PubChem (CID 115262807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).