4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol

C17H28N2O — CID 64797111

IUPAC4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCc1ccc2c(c1)CCCN2CCC(CO)NC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)18-16(12-20)8-10-19-9-4-5-15-11-14(3)6-7-17(15)19/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3
InChIKeyUPBUNVFHWQUCJF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.50
Rot. Bonds6

About 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64797111) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64797111
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCc1ccc2c(c1)CCCN2CCC(CO)NC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)18-16(12-20)8-10-19-9-4-5-15-11-14(3)6-7-17(15)19/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3
InChIKeyUPBUNVFHWQUCJF-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)propan-1-ol
CID 64796022
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]butan-2-amine
CID 60854306
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64797111) is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol is Cc1ccc2c(c1)CCCN2CCC(CO)NC(C)C.
What is the InChIKey of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is UPBUNVFHWQUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-16(12-20)8-10-19-9-4-5-15-11-14(3)6-7-17(15)19/h6-7,11,13,16,18,20H,4-5,8-10,12H2,1-3H3.
What are the key properties of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).