4-chloro-3-(methoxymethyl)aniline

C8H10ClNO — CID 43169102

IUPAC4-chloro-3-(methoxymethyl)aniline
SMILESCOCc1cc(N)ccc1Cl
InChIInChI=1S/C8H10ClNO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKeyAKNSTVMTJIIGEX-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-3-(methoxymethyl)aniline

4-chloro-3-(methoxymethyl)aniline (PubChem CID 43169102) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-3-(methoxymethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-(methoxymethyl)aniline
PubChem CID43169102
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-3-(methoxymethyl)aniline
SMILESCOCc1cc(N)ccc1Cl
InChIInChI=1S/C8H10ClNO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKeyAKNSTVMTJIIGEX-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

(5-Amino-2-chlorophenyl)methanol
CID 13567962
4-Chloro-3-(1,3-dioxolan-2-yl)aniline
CID 14496299
1-Chloro-2-(methoxymethyl)-4-nitrobenzene
CID 19912867
3-(Methoxymethyl)aniline
CID 13042032
3-((Propan-2-yloxy)methyl)aniline
CID 20525454
3-[(Tert-butoxy)methyl]aniline
CID 28995273
4-Chloro-5-(1,3-dioxan-2-yl)-2-fluoroaniline
CID 14496302
3-Chloro-2-(methoxymethyl)aniline
CID 23446885
4-Chloro-5-(1,3-dioxolan-2-yl)-2-fluoroaniline
CID 176800630
3-[(Hexyloxy)methyl]aniline
CID 28995611
3-{[(2-Ethylhexyl)oxy]methyl}aniline
CID 43127151
3-[(Octyloxy)methyl]aniline
CID 43127234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methoxymethyl)aniline?
The IUPAC name of 4-chloro-3-(methoxymethyl)aniline (CID 43169102) is 4-chloro-3-(methoxymethyl)aniline.
What is the SMILES notation for 4-chloro-3-(methoxymethyl)aniline?
The canonical SMILES for 4-chloro-3-(methoxymethyl)aniline is COCc1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-(methoxymethyl)aniline?
The InChIKey is AKNSTVMTJIIGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5,10H2,1H3.
What are the key properties of 4-chloro-3-(methoxymethyl)aniline?
4-chloro-3-(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 4-chloro-3-(methoxymethyl)aniline is sourced from PubChem (CID 43169102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).