2-(3-chloro-4-methoxyphenyl)oxan-3-amine

C12H16ClNO2 — CID 79365514

IUPAC2-(3-chloro-4-methoxyphenyl)oxan-3-amine
SMILESCOc1ccc(C2OCCCC2N)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-11-5-4-8(7-9(11)13)12-10(14)3-2-6-16-12/h4-5,7,10,12H,2-3,6,14H2,1H3
InChIKeyLORQFZRRDBGDBC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)oxan-3-amine

2-(3-chloro-4-methoxyphenyl)oxan-3-amine (PubChem CID 79365514) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)oxan-3-amine
PubChem CID79365514
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(3-chloro-4-methoxyphenyl)oxan-3-amine
SMILESCOc1ccc(C2OCCCC2N)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-11-5-4-8(7-9(11)13)12-10(14)3-2-6-16-12/h4-5,7,10,12H,2-3,6,14H2,1H3
InChIKeyLORQFZRRDBGDBC-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2757241
2-(3-Chloro-4-isopropoxy-phenyl)-ethylamine
CID 2757621
2-(3-Chloro-4-methoxyphenyl)ethan-1-amine hydrochloride
CID 16217975
Pentyl 2-amino-3-(3-chloro-4-methoxy-phenyl)propanoate
CID 5276844
2-(3-Chloro-4-methoxyphenyl)ethan-1-amine
CID 2757644
2-(3-Chloro-4-propoxyphenyl)ethylamine
CID 2757886
1-(3-Chloro-4-methoxyphenyl)propan-1-amine
CID 43131000
2-(3-Chloro-4-isopropoxyphenyl)ethanamine
CID 843754
2-(4-Butoxy-3-chlorophenyl)ethylamine
CID 2757242
(2R)-2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
CID 11536232
2-[(5-Chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
CID 67073261
5-[4-[[3-Chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]pent-4-en-2-amine
CID 70592884

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)oxan-3-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)oxan-3-amine (CID 79365514) is 2-(3-chloro-4-methoxyphenyl)oxan-3-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)oxan-3-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)oxan-3-amine is COc1ccc(C2OCCCC2N)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)oxan-3-amine?
The InChIKey is LORQFZRRDBGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-11-5-4-8(7-9(11)13)12-10(14)3-2-6-16-12/h4-5,7,10,12H,2-3,6,14H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)oxan-3-amine?
2-(3-chloro-4-methoxyphenyl)oxan-3-amine has a molecular weight of 241.72 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)oxan-3-amine is sourced from PubChem (CID 79365514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).