2-chloro-5-(methoxymethyl)aniline

C8H10ClNO — CID 43349916

IUPAC2-chloro-5-(methoxymethyl)aniline
SMILESCOCc1ccc(Cl)c(N)c1
InChIInChI=1S/C8H10ClNO/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKeyDATXPCZMMHNCRW-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.07
Rot. Bonds2

About 2-chloro-5-(methoxymethyl)aniline

2-chloro-5-(methoxymethyl)aniline (PubChem CID 43349916) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-chloro-5-(methoxymethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(methoxymethyl)aniline
PubChem CID43349916
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-chloro-5-(methoxymethyl)aniline
SMILESCOCc1ccc(Cl)c(N)c1
InChIInChI=1S/C8H10ClNO/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKeyDATXPCZMMHNCRW-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
2-[2-amino-4-(methoxymethyl)phenoxy]-5-(methoxymethyl)aniline
CID 174463827
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
2-chloro-5-(methylsulfanylmethyl)aniline
CID 54594216
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methoxymethyl)aniline?
The IUPAC name of 2-chloro-5-(methoxymethyl)aniline (CID 43349916) is 2-chloro-5-(methoxymethyl)aniline.
What is the SMILES notation for 2-chloro-5-(methoxymethyl)aniline?
The canonical SMILES for 2-chloro-5-(methoxymethyl)aniline is COCc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-(methoxymethyl)aniline?
The InChIKey is DATXPCZMMHNCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3.
What are the key properties of 2-chloro-5-(methoxymethyl)aniline?
2-chloro-5-(methoxymethyl)aniline has a molecular weight of 171.63 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methoxymethyl)aniline is sourced from PubChem (CID 43349916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).