3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol

C20H26N2O — CID 82074064

IUPAC3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
SMILESCCN(CCC(O)c1ccc2c(c1)CCCN2)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-22(18-8-4-3-5-9-18)14-12-20(23)17-10-11-19-16(15-17)7-6-13-21-19/h3-5,8-11,15,20-21,23H,2,6-7,12-14H2,1H3
InChIKeyRBGOJPZJUHHDPW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.99
Rot. Bonds6

About 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol

3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol (PubChem CID 82074064) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
PubChem CID82074064
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
SMILESCCN(CCC(O)c1ccc2c(c1)CCCN2)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-22(18-8-4-3-5-9-18)14-12-20(23)17-10-11-19-16(15-17)7-6-13-21-19/h3-5,8-11,15,20-21,23H,2,6-7,12-14H2,1H3
InChIKeyRBGOJPZJUHHDPW-UHFFFAOYSA-N
XLogP3.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215271
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
CID 82074045
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073593
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81217490
3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 82073791
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215273
N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215496
6-(2-nitro-1-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 132608679
N-ethyl-N-propan-2-ylpropan-2-amine;1,2,3,4-tetrahydroquinoline
CID 174330190

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol (CID 82074064) is 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol is CCN(CCC(O)c1ccc2c(c1)CCCN2)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The InChIKey is RBGOJPZJUHHDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-22(18-8-4-3-5-9-18)14-12-20(23)17-10-11-19-16(15-17)7-6-13-21-19/h3-5,8-11,15,20-21,23H,2,6-7,12-14H2,1H3.
What are the key properties of 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol has a molecular weight of 310.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 82074064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).