2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine

C12H16ClNO2 — CID 150261044

IUPAC2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
SMILESCNCC(c1ccccc1Cl)C1OCCO1
InChIInChI=1S/C12H16ClNO2/c1-14-8-10(12-15-6-7-16-12)9-4-2-3-5-11(9)13/h2-5,10,12,14H,6-8H2,1H3
InChIKeyGBOFLEAMKXCMLW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine

2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine (PubChem CID 150261044) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
PubChem CID150261044
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
SMILESCNCC(c1ccccc1Cl)C1OCCO1
InChIInChI=1S/C12H16ClNO2/c1-14-8-10(12-15-6-7-16-12)9-4-2-3-5-11(9)13/h2-5,10,12,14H,6-8H2,1H3
InChIKeyGBOFLEAMKXCMLW-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-2-(2-chlorophenyl)-N-methylethanamine;hydrochloride
CID 90158504
2-(2-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 79448612
2-(2-chlorophenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 83919222
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
(S)-(2-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
CID 129386809
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16788536
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine (CID 150261044) is 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine is CNCC(c1ccccc1Cl)C1OCCO1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The InChIKey is GBOFLEAMKXCMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-8-10(12-15-6-7-16-12)9-4-2-3-5-11(9)13/h2-5,10,12,14H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine is sourced from PubChem (CID 150261044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).