5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline

C12H16ClNO2 — CID 104870518

IUPAC5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
SMILESCOc1ccc(Cl)cc1NC1CC(OC)C1
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-9(7-10)14-11-5-8(13)3-4-12(11)16-2/h3-5,9-10,14H,6-7H2,1-2H3
InChIKeyUHDYVCJUIVEZIG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline

5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline (PubChem CID 104870518) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
PubChem CID104870518
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
SMILESCOc1ccc(Cl)cc1NC1CC(OC)C1
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-9(7-10)14-11-5-8(13)3-4-12(11)16-2/h3-5,9-10,14H,6-7H2,1-2H3
InChIKeyUHDYVCJUIVEZIG-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941779
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
5-tert-butyl-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871662
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline (CID 104870518) is 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline is COc1ccc(Cl)cc1NC1CC(OC)C1.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline?
The InChIKey is UHDYVCJUIVEZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-10-6-9(7-10)14-11-5-8(13)3-4-12(11)16-2/h3-5,9-10,14H,6-7H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline?
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline has a molecular weight of 241.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline is sourced from PubChem (CID 104870518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).