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

C12H16ClNO — CID 115801779

IUPAC(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-6-7-15-12(8)11(14)9-4-2-3-5-10(9)13/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyGRPVHHVUGNVUIL-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.76
Rot. Bonds2

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

(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 115801779) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID115801779
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCC1CCOC1C(N)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-6-7-15-12(8)11(14)9-4-2-3-5-10(9)13/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyGRPVHHVUGNVUIL-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

1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine (CID 115801779) is (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine is CC1CCOC1C(N)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is GRPVHHVUGNVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-6-7-15-12(8)11(14)9-4-2-3-5-10(9)13/h2-5,8,11-12H,6-7,14H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine?
(2-chlorophenyl)-(3-methyloxolan-2-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)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).