8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C14H21NO — CID 79983235

IUPAC8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2cc(C)ccc21
InChIInChI=1S/C14H21NO/c1-3-8-15-13-5-4-9-16-14-10-11(2)6-7-12(13)14/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyBRZHUDARLLQIFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.21
Rot. Bonds3

About 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 79983235) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound Name8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID79983235
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2cc(C)ccc21
InChIInChI=1S/C14H21NO/c1-3-8-15-13-5-4-9-16-14-10-11(2)6-7-12(13)14/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyBRZHUDARLLQIFX-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-7-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107170018
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75428462
8,9-dimethyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512197
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635733
5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;ethane
CID 143826176
N-butyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43759380
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
8-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 166212373
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
8-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 103871899
8-bromo-N-(3-methylbut-2-enyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 106180258

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 79983235) is 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CCCNC1CCCOc2cc(C)ccc21.
What is the InChIKey of 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is BRZHUDARLLQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-15-13-5-4-9-16-14-10-11(2)6-7-12(13)14/h6-7,10,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 219.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 79983235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).