2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol

C15H24N2O — CID 64810854

IUPAC2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol
SMILESCNC(CO)CCN1CCc2ccccc2CC1
InChIInChI=1S/C15H24N2O/c1-16-15(12-18)8-11-17-9-6-13-4-2-3-5-14(13)7-10-17/h2-5,15-16,18H,6-12H2,1H3
InChIKeyDJMICLVEQNAEDF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.06
Rot. Bonds5

About 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol

2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol (PubChem CID 64810854) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol
PubChem CID64810854
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol
SMILESCNC(CO)CCN1CCc2ccccc2CC1
InChIInChI=1S/C15H24N2O/c1-16-15(12-18)8-11-17-9-6-13-4-2-3-5-14(13)7-10-17/h2-5,15-16,18H,6-12H2,1H3
InChIKeyDJMICLVEQNAEDF-UHFFFAOYSA-N
XLogP1.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
2-(methylamino)-4-(2-methyl-2,3-dihydroindol-1-yl)butan-1-ol
CID 64790575
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
CID 64797716
2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-ol
CID 115873112
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892410
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64791800
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol?
The IUPAC name of 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol (CID 64810854) is 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol is CNC(CO)CCN1CCc2ccccc2CC1.
What is the InChIKey of 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol?
The InChIKey is DJMICLVEQNAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-15(12-18)8-11-17-9-6-13-4-2-3-5-14(13)7-10-17/h2-5,15-16,18H,6-12H2,1H3.
What are the key properties of 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol?
2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-ol is sourced from PubChem (CID 64810854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).