4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

C19H24N2 — CID 80649779

IUPAC4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCCCc1ccc(NCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C19H24N2/c1-2-5-15-9-11-18(12-10-15)21-14-17-7-3-6-16-8-4-13-20-19(16)17/h3,6-7,9-12,20-21H,2,4-5,8,13-14H2,1H3
InChIKeyMUSWZZXGXBWDHM-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.61
Rot. Bonds5

About 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (PubChem CID 80649779) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
PubChem CID80649779
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCCCc1ccc(NCc2cccc3c2NCCC3)cc1
InChIInChI=1S/C19H24N2/c1-2-5-15-9-11-18(12-10-15)21-14-17-7-3-6-16-8-4-13-20-19(16)17/h3,6-7,9-12,20-21H,2,4-5,8,13-14H2,1H3
InChIKeyMUSWZZXGXBWDHM-UHFFFAOYSA-N
XLogP4.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
CID 80649181
4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649508
2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine
CID 80650008
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The IUPAC name of 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (CID 80649779) is 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.
What is the SMILES notation for 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The canonical SMILES for 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is CCCc1ccc(NCc2cccc3c2NCCC3)cc1.
What is the InChIKey of 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The InChIKey is MUSWZZXGXBWDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-5-15-9-11-18(12-10-15)21-14-17-7-3-6-16-8-4-13-20-19(16)17/h3,6-7,9-12,20-21H,2,4-5,8,13-14H2,1H3.
What are the key properties of 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline has a molecular weight of 280.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is sourced from PubChem (CID 80649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).