(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine

C12H16ClNO — CID 115811426

IUPAC(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2cccc(Cl)c2)O1
InChIInChI=1S/C12H16ClNO/c1-8-5-6-11(15-8)12(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12H,5-6,14H2,1H3
InChIKeyOZECVOCGPCITON-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds2

About (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine

(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 115811426) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID115811426
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2cccc(Cl)c2)O1
InChIInChI=1S/C12H16ClNO/c1-8-5-6-11(15-8)12(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12H,5-6,14H2,1H3
InChIKeyOZECVOCGPCITON-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
CID 107187965
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837161
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine (CID 115811426) is (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine is CC1CCC(C(N)c2cccc(Cl)c2)O1.
What is the InChIKey of (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is OZECVOCGPCITON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-5-6-11(15-8)12(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12H,5-6,14H2,1H3.
What are the key properties of (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine?
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115811426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).