2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline

C16H19ClN2O — CID 61420544

IUPAC2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
SMILESCOc1ccccc1CN(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H19ClN2O/c1-19(10-12-7-8-14(17)15(18)9-12)11-13-5-3-4-6-16(13)20-2/h3-9H,10-11,18H2,1-2H3
InChIKeyYNPIOLAKMFTORJ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline

2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline (PubChem CID 61420544) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
PubChem CID61420544
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
SMILESCOc1ccccc1CN(C)Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H19ClN2O/c1-19(10-12-7-8-14(17)15(18)9-12)11-13-5-3-4-6-16(13)20-2/h3-9H,10-11,18H2,1-2H3
InChIKeyYNPIOLAKMFTORJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
5-[[(2-aminophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65339662
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
2-chloro-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 43587699
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline (CID 61420544) is 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline is COc1ccccc1CN(C)Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline?
The InChIKey is YNPIOLAKMFTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(10-12-7-8-14(17)15(18)9-12)11-13-5-3-4-6-16(13)20-2/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline?
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline has a molecular weight of 290.79 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 61420544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).