2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol

C14H21NO — CID 115873061

IUPAC2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
SMILESCC(CO)CN1CCCc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-12(11-16)9-15-8-4-7-13-5-2-3-6-14(13)10-15/h2-3,5-6,12,16H,4,7-11H2,1H3
InChIKeyQIIDTOVZBVVBSG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol

2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol (PubChem CID 115873061) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
PubChem CID115873061
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
SMILESCC(CO)CN1CCCc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-12(11-16)9-15-8-4-7-13-5-2-3-6-14(13)10-15/h2-3,5-6,12,16H,4,7-11H2,1H3
InChIKeyQIIDTOVZBVVBSG-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-ol
CID 115873112
(2S)-3-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 112736651
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
methyl 2-(propan-2-ylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63153254
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)prop-2-en-1-amine
CID 103070503
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 138663721
3,3,3-trifluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)propan-1-amine
CID 103366312
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol (CID 115873061) is 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol is CC(CO)CN1CCCc2ccccc2C1.
What is the InChIKey of 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol?
The InChIKey is QIIDTOVZBVVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(11-16)9-15-8-4-7-13-5-2-3-6-14(13)10-15/h2-3,5-6,12,16H,4,7-11H2,1H3.
What are the key properties of 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol?
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol is sourced from PubChem (CID 115873061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).