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

C12H16ClNO — CID 115801573

IUPAC(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyHHORDEYUQPFPPS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.76
Rot. Bonds2

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

(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 115801573) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID115801573
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyHHORDEYUQPFPPS-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
[2-(2,6-dichlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105293114

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine (CID 115801573) is (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is HHORDEYUQPFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-9(6-7-15-8)12(14)10-4-2-3-5-11(10)13/h2-5,8-9,12H,6-7,14H2,1H3.
What are the key properties of (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine?
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 115801573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).