(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine

C12H16ClNO2 — CID 79699913

IUPAC(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCCO2)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-11-7-8(4-5-9(11)13)12(14)10-3-2-6-16-10/h4-5,7,10,12H,2-3,6,14H2,1H3
InChIKeyBDHRYTHVBUEBLC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.53
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine

(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine (PubChem CID 79699913) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
PubChem CID79699913
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCCO2)ccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-11-7-8(4-5-9(11)13)12(14)10-3-2-6-16-10/h4-5,7,10,12H,2-3,6,14H2,1H3
InChIKeyBDHRYTHVBUEBLC-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79699140
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
CID 106601230
2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
CID 61086456
[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105320716
1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine (CID 79699913) is (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine is COc1cc(C(N)C2CCCO2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine?
The InChIKey is BDHRYTHVBUEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-11-7-8(4-5-9(11)13)12(14)10-3-2-6-16-10/h4-5,7,10,12H,2-3,6,14H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine has a molecular weight of 241.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 79699913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).