2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline

C19H20N2 — CID 43458604

IUPAC2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)Cc1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-21(14-17-8-3-5-12-19(17)20)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14,20H2,1H3
InChIKeyUJFWQHGWIXJRSS-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.05
Rot. Bonds4

About 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline

2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline (PubChem CID 43458604) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
PubChem CID43458604
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)Cc1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-21(14-17-8-3-5-12-19(17)20)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14,20H2,1H3
InChIKeyUJFWQHGWIXJRSS-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
CID 28894653
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
CID 107043648
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-methyl-4-[methyl(naphthalen-1-ylmethyl)amino]butan-2-ol
CID 75423705

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline (CID 43458604) is 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline is CN(Cc1ccccc1N)Cc1cccc2ccccc12.
What is the InChIKey of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline?
The InChIKey is UJFWQHGWIXJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-21(14-17-8-3-5-12-19(17)20)13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12H,13-14,20H2,1H3.
What are the key properties of 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline?
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline has a molecular weight of 276.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).