(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

C15H23NO — CID 82243155

IUPAC(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCC(C)c1ccc2c(c1)C(C)(CN)CCCO2
InChIInChI=1S/C15H23NO/c1-11(2)12-5-6-14-13(9-12)15(3,10-16)7-4-8-17-14/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyGNSAOXUPCGBRCY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds2

About (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (PubChem CID 82243155) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
PubChem CID82243155
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCC(C)c1ccc2c(c1)C(C)(CN)CCCO2
InChIInChI=1S/C15H23NO/c1-11(2)12-5-6-14-13(9-12)15(3,10-16)7-4-8-17-14/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyGNSAOXUPCGBRCY-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
(5,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82241430
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82243150
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 60869172
4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194488
N'-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propane-1,3-diamine
CID 82246436
(1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 168723729
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (CID 82243155) is (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is CC(C)c1ccc2c(c1)C(C)(CN)CCCO2.
What is the InChIKey of (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The InChIKey is GNSAOXUPCGBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)12-5-6-14-13(9-12)15(3,10-16)7-4-8-17-14/h5-6,9,11H,4,7-8,10,16H2,1-3H3.
What are the key properties of (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).