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

C17H19ClN2 — CID 63405914

IUPAC3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCC1CCc2ccccc2N1Cc1ccc(N)cc1Cl
InChIInChI=1S/C17H19ClN2/c1-12-6-7-13-4-2-3-5-17(13)20(12)11-14-8-9-15(19)10-16(14)18/h2-5,8-10,12H,6-7,11,19H2,1H3
InChIKeyUVGNVILPTLUZGX-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.26
Rot. Bonds2

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

3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (PubChem CID 63405914) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
PubChem CID63405914
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCC1CCc2ccccc2N1Cc1ccc(N)cc1Cl
InChIInChI=1S/C17H19ClN2/c1-12-6-7-13-4-2-3-5-17(13)20(12)11-14-8-9-15(19)10-16(14)18/h2-5,8-10,12H,6-7,11,19H2,1H3
InChIKeyUVGNVILPTLUZGX-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.26
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 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (CID 63405914) is 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is CC1CCc2ccccc2N1Cc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The InChIKey is UVGNVILPTLUZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12-6-7-13-4-2-3-5-17(13)20(12)11-14-8-9-15(19)10-16(14)18/h2-5,8-10,12H,6-7,11,19H2,1H3.
What are the key properties of 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline has a molecular weight of 286.81 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is sourced from PubChem (CID 63405914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).