2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline

C16H20N2O — CID 66417473

IUPAC2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
SMILESCOCc1cccc(CNCc2ccccc2N)c1
InChIInChI=1S/C16H20N2O/c1-19-12-14-6-4-5-13(9-14)10-18-11-15-7-2-3-8-16(15)17/h2-9,18H,10-12,17H2,1H3
InChIKeyYICHNUUPSVCGGU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.70
Rot. Bonds6

About 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline

2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline (PubChem CID 66417473) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
PubChem CID66417473
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
SMILESCOCc1cccc(CNCc2ccccc2N)c1
InChIInChI=1S/C16H20N2O/c1-19-12-14-6-4-5-13(9-14)10-18-11-15-7-2-3-8-16(15)17/h2-9,18H,10-12,17H2,1H3
InChIKeyYICHNUUPSVCGGU-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 103241682
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline?
The IUPAC name of 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline (CID 66417473) is 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline.
What is the SMILES notation for 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline?
The canonical SMILES for 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline is COCc1cccc(CNCc2ccccc2N)c1.
What is the InChIKey of 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline?
The InChIKey is YICHNUUPSVCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-12-14-6-4-5-13(9-14)10-18-11-15-7-2-3-8-16(15)17/h2-9,18H,10-12,17H2,1H3.
What are the key properties of 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline?
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline is sourced from PubChem (CID 66417473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).