N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine

C12H16ClNO2 — CID 122135630

IUPACN-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)CC1OCCO1
InChIInChI=1S/C12H16ClNO2/c1-14(9-12-15-6-7-16-12)8-10-2-4-11(13)5-3-10/h2-5,12H,6-9H2,1H3
InChIKeyPZTYQZALWRWADF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.14
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine

N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine (PubChem CID 122135630) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
PubChem CID122135630
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)CC1OCCO1
InChIInChI=1S/C12H16ClNO2/c1-14(9-12-15-6-7-16-12)8-10-2-4-11(13)5-3-10/h2-5,12H,6-9H2,1H3
InChIKeyPZTYQZALWRWADF-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazolidine, 3-(p-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3056409
Oxazolidine, 3-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3056413
((3-Chlorophenyl)methyl)(2,2-dimethoxyethyl)amine
CID 60657354
(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine
CID 52864611
N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-ethylacetamide
CID 12435497
N-[(2-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624912
N-[(3-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624913
N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624915
N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide
CID 134891791
3-(4-Chlorobenzyl)-5-methyl-1,3-oxazolidine
CID 138756871
N-benzyl-(1,3-dioxolan-4-yl)-methylamine
CID 168356013
4-Benzyl-4-[(1,3-dioxolan-2-yl)methyl]morpholin-4-ium bromide
CID 177866608

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine (CID 122135630) is N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine is CN(Cc1ccc(Cl)cc1)CC1OCCO1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
The InChIKey is PZTYQZALWRWADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14(9-12-15-6-7-16-12)8-10-2-4-11(13)5-3-10/h2-5,12H,6-9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine?
N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 122135630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).