3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine

C18H19N3 — CID 63229723

IUPAC3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine
SMILESCCN(Cc1ccc2ccccc2n1)c1cccc(N)c1
InChIInChI=1S/C18H19N3/c1-2-21(17-8-5-7-15(19)12-17)13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,2,13,19H2,1H3
InChIKeyZWPYVOOKSIQESS-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.84
Rot. Bonds4

About 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine

3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine (PubChem CID 63229723) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine
PubChem CID63229723
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine
SMILESCCN(Cc1ccc2ccccc2n1)c1cccc(N)c1
InChIInChI=1S/C18H19N3/c1-2-21(17-8-5-7-15(19)12-17)13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,2,13,19H2,1H3
InChIKeyZWPYVOOKSIQESS-UHFFFAOYSA-N
XLogP3.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.84
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

3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine (CID 63229723) is 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine is CCN(Cc1ccc2ccccc2n1)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is ZWPYVOOKSIQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-21(17-8-5-7-15(19)12-17)13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,2,13,19H2,1H3.
What are the key properties of 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine?
3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(quinolin-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 63229723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).