[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium

C16H19ClNO+ — CID 7986318

IUPAC[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)17/h3-10,18H,2,11-12H2,1H3/p+1
InChIKeyBFWXNYMHGPAKLL-UHFFFAOYSA-O
MW276.79 g/mol
LogP3.00
Rot. Bonds6

About [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium

[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium (PubChem CID 7986318) has the molecular formula C16H19ClNO+ and a molecular weight of 276.79 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
PubChem CID7986318
Molecular FormulaC16H19ClNO+
Molecular Weight276.79 g/mol
Exact Mass276.11
IUPAC Name[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)17/h3-10,18H,2,11-12H2,1H3/p+1
InChIKeyBFWXNYMHGPAKLL-UHFFFAOYSA-O
XLogP3.00
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
[4-[(2-chlorophenyl)methoxy]phenyl]methanamine;oxalic acid
CID 122170235
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium (CID 7986318) is [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium is CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium?
The InChIKey is BFWXNYMHGPAKLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClNO/c1-2-18-11-13-7-9-15(10-8-13)19-12-14-5-3-4-6-16(14)17/h3-10,18H,2,11-12H2,1H3/p+1.
What are the key properties of [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium?
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium has a molecular weight of 276.79 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium is sourced from PubChem (CID 7986318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).