2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol

C15H23NO2 — CID 82244780

IUPAC2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
SMILESCc1cc2c(c(C(O)C(C)(C)N)c1)OCCCC2
InChIInChI=1S/C15H23NO2/c1-10-8-11-6-4-5-7-18-13(11)12(9-10)14(17)15(2,3)16/h8-9,14,17H,4-7,16H2,1-3H3
InChIKeyRSKFBCYRCRRLEQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds2

About 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol

2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol (PubChem CID 82244780) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
PubChem CID82244780
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
SMILESCc1cc2c(c(C(O)C(C)(C)N)c1)OCCCC2
InChIInChI=1S/C15H23NO2/c1-10-8-11-6-4-5-7-18-13(11)12(9-10)14(17)15(2,3)16/h8-9,14,17H,4-7,16H2,1-3H3
InChIKeyRSKFBCYRCRRLEQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
CID 82242261
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-pyrrolidin-2-ylmethanol
CID 82246205
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-piperidin-3-ylmethanol
CID 82248255
2-chloro-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-one
CID 82245104
1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanone
CID 82241376
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
3-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)butan-1-one
CID 82244284
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
8-iodo-6-methyl-3,4-dihydro-2H-chromene
CID 59113741
2-amino-1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 66038821
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol?
The IUPAC name of 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol (CID 82244780) is 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol is Cc1cc2c(c(C(O)C(C)(C)N)c1)OCCCC2.
What is the InChIKey of 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol?
The InChIKey is RSKFBCYRCRRLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-11-6-4-5-7-18-13(11)12(9-10)14(17)15(2,3)16/h8-9,14,17H,4-7,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol?
2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol is sourced from PubChem (CID 82244780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).