1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine

C15H14ClNO2 — CID 43481461

IUPAC1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14ClNO2/c1-17-15(10-2-5-12(16)6-3-10)11-4-7-13-14(8-11)19-9-18-13/h2-8,15,17H,9H2,1H3
InChIKeyNXHBKDSGGPMDPO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.38
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine

1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 43481461) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID43481461
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14ClNO2/c1-17-15(10-2-5-12(16)6-3-10)11-4-7-13-14(8-11)19-9-18-13/h2-8,15,17H,9H2,1H3
InChIKeyNXHBKDSGGPMDPO-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492997
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
1-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
1-(1,3-benzodioxol-5-yl)-2-chloro-N-methylethanamine
CID 116952586
1-(5-chlorofuran-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106684105
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
1-(5-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483271
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
5-[1-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzodioxole
CID 55222555
1-(1,3-benzodioxol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948054

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 43481461) is 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is NXHBKDSGGPMDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-17-15(10-2-5-12(16)6-3-10)11-4-7-13-14(8-11)19-9-18-13/h2-8,15,17H,9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 275.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43481461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).