1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol

C14H22N2O — CID 64818927

IUPAC1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCC1Cc2ccccc2N(CCC(O)CN)C1
InChIInChI=1S/C14H22N2O/c1-11-8-12-4-2-3-5-14(12)16(10-11)7-6-13(17)9-15/h2-5,11,13,17H,6-10,15H2,1H3
InChIKeyPZOBYJVTZLWIPH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.39
Rot. Bonds4

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

1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (PubChem CID 64818927) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
PubChem CID64818927
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
SMILESCC1Cc2ccccc2N(CCC(O)CN)C1
InChIInChI=1S/C14H22N2O/c1-11-8-12-4-2-3-5-14(12)16(10-11)7-6-13(17)9-15/h2-5,11,13,17H,6-10,15H2,1H3
InChIKeyPZOBYJVTZLWIPH-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 81080032
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 63465644
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The IUPAC name of 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol (CID 64818927) is 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is CC1Cc2ccccc2N(CCC(O)CN)C1.
What is the InChIKey of 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
The InChIKey is PZOBYJVTZLWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-12-4-2-3-5-14(12)16(10-11)7-6-13(17)9-15/h2-5,11,13,17H,6-10,15H2,1H3.
What are the key properties of 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol?
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol is sourced from PubChem (CID 64818927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).