1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine

C15H23NO — CID 82243150

IUPAC1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)C(C(C)N)CCCO2
InChIInChI=1S/C15H23NO/c1-10(2)12-6-7-15-14(9-12)13(11(3)16)5-4-8-17-15/h6-7,9-11,13H,4-5,8,16H2,1-3H3
InChIKeyYQTUCEULDLAJMN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.41
Rot. Bonds2

About 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine

1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine (PubChem CID 82243150) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
PubChem CID82243150
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)C(C(C)N)CCCO2
InChIInChI=1S/C15H23NO/c1-10(2)12-6-7-15-14(9-12)13(11(3)16)5-4-8-17-15/h6-7,9-11,13H,4-5,8,16H2,1-3H3
InChIKeyYQTUCEULDLAJMN-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82247422
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 83909719
N'-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propane-1,3-diamine
CID 82246436
(4R,5S)-4-amino-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 94985824
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
4-amino-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 71695515
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 82086564
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine?
The IUPAC name of 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine (CID 82243150) is 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine.
What is the SMILES notation for 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine?
The canonical SMILES for 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine is CC(C)c1ccc2c(c1)C(C(C)N)CCCO2.
What is the InChIKey of 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine?
The InChIKey is YQTUCEULDLAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)12-6-7-15-14(9-12)13(11(3)16)5-4-8-17-15/h6-7,9-11,13H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine?
1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine is sourced from PubChem (CID 82243150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).