N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline

C16H18N2 — CID 61149619

IUPACN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
SMILESc1ccc(NCc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H18N2/c1-2-6-15(7-3-1)18-12-13-8-9-16-14(11-13)5-4-10-17-16/h1-3,6-9,11,17-18H,4-5,10,12H2
InChIKeyGJAFZKJIFZDFBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.66
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline

N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline (PubChem CID 61149619) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
PubChem CID61149619
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
SMILESc1ccc(NCc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H18N2/c1-2-6-15(7-3-1)18-12-13-8-9-16-14(11-13)5-4-10-17-16/h1-3,6-9,11,17-18H,4-5,10,12H2
InChIKeyGJAFZKJIFZDFBZ-UHFFFAOYSA-N
XLogP3.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,3-dihydro-1H-indol-5-amine
CID 22497856
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
CID 61151262
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 61150769
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline (CID 61149619) is N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline is c1ccc(NCc2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline?
The InChIKey is GJAFZKJIFZDFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-15(7-3-1)18-12-13-8-9-16-14(11-13)5-4-10-17-16/h1-3,6-9,11,17-18H,4-5,10,12H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline?
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline has a molecular weight of 238.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline is sourced from PubChem (CID 61149619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).