(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine

C15H22ClNO3 — CID 129403106

IUPAC(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
SMILESCOC[C@H](NCCC1(C)OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-15(19-9-10-20-15)7-8-17-14(11-18-2)12-3-5-13(16)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyVXNNTWZMQWOYOQ-AWEZNQCLSA-N
MW299.80 g/mol
LogP2.77
Rot. Bonds7

About (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine

(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine (PubChem CID 129403106) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
PubChem CID129403106
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
SMILESCOC[C@H](NCCC1(C)OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c1-15(19-9-10-20-15)7-8-17-14(11-18-2)12-3-5-13(16)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyVXNNTWZMQWOYOQ-AWEZNQCLSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine with MolForge

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Related Compounds

(2S)-2-[(2S,4S)-2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]piperidine
CID 15749464
3-(4-Chlorophenyl)morpholine hydrochloride
CID 17749821
[1-(4-Chlorophenyl)-2-methoxyethyl](methyl)amine
CID 61553177
4-(4-chlorophenyl)-N-(2-methoxyethyl)oxan-4-amine
CID 53593528
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
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4-(4-chlorophenyl)-N-(2-ethoxyethyl)oxan-4-amine
CID 72127516
(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol
CID 96621217
3-(4-Chlorophenyl)morpholine
CID 5193659
(3aS,4R,6aR)-2,2-dimethyl-4-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 23635083
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 56651053
(3aR,4S,6aS)-2,2-dimethyl-4-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 101435587
(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol
CID 134848321

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine (CID 129403106) is (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine is COC[C@H](NCCC1(C)OCCO1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The InChIKey is VXNNTWZMQWOYOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-15(19-9-10-20-15)7-8-17-14(11-18-2)12-3-5-13(16)6-4-12/h3-6,14,17H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
(1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine has a molecular weight of 299.80 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 129403106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).