3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol

C14H21NO — CID 105474725

IUPAC3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
SMILESCN1CCCc2ccc(CCCO)cc2C1
InChIInChI=1S/C14H21NO/c1-15-8-2-5-13-7-6-12(4-3-9-16)10-14(13)11-15/h6-7,10,16H,2-5,8-9,11H2,1H3
InChIKeyKVXOCOOCEXNXNP-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.99
Rot. Bonds3

About 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol

3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol (PubChem CID 105474725) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
PubChem CID105474725
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
SMILESCN1CCCc2ccc(CCCO)cc2C1
InChIInChI=1S/C14H21NO/c1-15-8-2-5-13-7-6-12(4-3-9-16)10-14(13)11-15/h6-7,10,16H,2-5,8-9,11H2,1H3
InChIKeyKVXOCOOCEXNXNP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol (CID 105474725) is 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol is CN1CCCc2ccc(CCCO)cc2C1.
What is the InChIKey of 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol?
The InChIKey is KVXOCOOCEXNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-8-2-5-13-7-6-12(4-3-9-16)10-14(13)11-15/h6-7,10,16H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol?
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol is sourced from PubChem (CID 105474725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).