2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

C18H22N2 — CID 43199534

IUPAC2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1cc(CN2c3ccccc3CCC2C)ccc1N
InChIInChI=1S/C18H22N2/c1-13-11-15(8-10-17(13)19)12-20-14(2)7-9-16-5-3-4-6-18(16)20/h3-6,8,10-11,14H,7,9,12,19H2,1-2H3
InChIKeyWLJOOTKNCIGFHL-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.92
Rot. Bonds2

About 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (PubChem CID 43199534) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
PubChem CID43199534
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1cc(CN2c3ccccc3CCC2C)ccc1N
InChIInChI=1S/C18H22N2/c1-13-11-15(8-10-17(13)19)12-20-14(2)7-9-16-5-3-4-6-18(16)20/h3-6,8,10-11,14H,7,9,12,19H2,1-2H3
InChIKeyWLJOOTKNCIGFHL-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The IUPAC name of 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (CID 43199534) is 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The canonical SMILES for 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is Cc1cc(CN2c3ccccc3CCC2C)ccc1N.
What is the InChIKey of 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The InChIKey is WLJOOTKNCIGFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-11-15(8-10-17(13)19)12-20-14(2)7-9-16-5-3-4-6-18(16)20/h3-6,8,10-11,14H,7,9,12,19H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is sourced from PubChem (CID 43199534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).