2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline

C19H27N3 — CID 83962689

IUPAC2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
SMILESCCN(CC)Cc1ccc(CNCc2ccccc2N)cc1
InChIInChI=1S/C19H27N3/c1-3-22(4-2)15-17-11-9-16(10-12-17)13-21-14-18-7-5-6-8-19(18)20/h5-12,21H,3-4,13-15,20H2,1-2H3
InChIKeyTWJWRGKMQVJACP-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.40
Rot. Bonds8

About 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline

2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline (PubChem CID 83962689) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
PubChem CID83962689
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
SMILESCCN(CC)Cc1ccc(CNCc2ccccc2N)cc1
InChIInChI=1S/C19H27N3/c1-3-22(4-2)15-17-11-9-16(10-12-17)13-21-14-18-7-5-6-8-19(18)20/h5-12,21H,3-4,13-15,20H2,1-2H3
InChIKeyTWJWRGKMQVJACP-UHFFFAOYSA-N
XLogP3.40
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.40
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-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
2-[[[4-(4-ethylpiperazin-1-yl)phenyl]methylamino]methyl]aniline
CID 83962235
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
CID 119136099
N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697149
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
2-[[(3,5-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 105404018
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline?
The IUPAC name of 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline (CID 83962689) is 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline.
What is the SMILES notation for 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline?
The canonical SMILES for 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline is CCN(CC)Cc1ccc(CNCc2ccccc2N)cc1.
What is the InChIKey of 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline?
The InChIKey is TWJWRGKMQVJACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-22(4-2)15-17-11-9-16(10-12-17)13-21-14-18-7-5-6-8-19(18)20/h5-12,21H,3-4,13-15,20H2,1-2H3.
What are the key properties of 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline?
2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline has a molecular weight of 297.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline is sourced from PubChem (CID 83962689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).