(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine

C16H24N2O2 — CID 82248393

IUPAC(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCOc1ccc2c(c1)C(CN)(N1CCCC1)CCCO2
InChIInChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(11-13)16(12-17,7-4-10-20-15)18-8-2-3-9-18/h5-6,11H,2-4,7-10,12,17H2,1H3
InChIKeyUNCZQBLCKPGYQH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds3

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

(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (PubChem CID 82248393) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
PubChem CID82248393
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
SMILESCOc1ccc2c(c1)C(CN)(N1CCCC1)CCCO2
InChIInChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(11-13)16(12-17,7-4-10-20-15)18-8-2-3-9-18/h5-6,11H,2-4,7-10,12,17H2,1H3
InChIKeyUNCZQBLCKPGYQH-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-fluoro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82246679
5-(dimethylamino)-7-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244241
2-[5-(aminomethyl)-8-methoxy-3,4-dihydro-2H-1-benzoxepin-5-yl]-N,N-dimethylethanamine
CID 82248813
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82250689
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 83754217
5-(dimethylamino)-8-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244240
[2-(2,5-dimethoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017767
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
6-methoxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
CID 70585209
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The IUPAC name of (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine (CID 82248393) is (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine.
What is the SMILES notation for (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The canonical SMILES for (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is COc1ccc2c(c1)C(CN)(N1CCCC1)CCCO2.
What is the InChIKey of (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
The InChIKey is UNCZQBLCKPGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-13-5-6-15-14(11-13)16(12-17,7-4-10-20-15)18-8-2-3-9-18/h5-6,11H,2-4,7-10,12,17H2,1H3.
What are the key properties of (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine?
(7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine is sourced from PubChem (CID 82248393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).