ethane;3-phenylmethoxy-4H-azepin-6-amine

C15H20N2O — CID 143276034

IUPACethane;3-phenylmethoxy-4H-azepin-6-amine
SMILESCC.NC1=CCC(OCc2ccccc2)=CN=C1
InChIInChI=1S/C13H14N2O.C2H6/c14-12-6-7-13(9-15-8-12)16-10-11-4-2-1-3-5-11;1-2/h1-6,8-9H,7,10,14H2;1-2H3
InChIKeyIAWTYWFAZWXRHO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.39
Rot. Bonds3

About ethane;3-phenylmethoxy-4H-azepin-6-amine

ethane;3-phenylmethoxy-4H-azepin-6-amine (PubChem CID 143276034) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is ethane;3-phenylmethoxy-4H-azepin-6-amine.

Molecular Properties

Compound Nameethane;3-phenylmethoxy-4H-azepin-6-amine
PubChem CID143276034
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Nameethane;3-phenylmethoxy-4H-azepin-6-amine
SMILESCC.NC1=CCC(OCc2ccccc2)=CN=C1
InChIInChI=1S/C13H14N2O.C2H6/c14-12-6-7-13(9-15-8-12)16-10-11-4-2-1-3-5-11;1-2/h1-6,8-9H,7,10,14H2;1-2H3
InChIKeyIAWTYWFAZWXRHO-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 151393318
ethane;molecular hydrogen;4-phenylmethoxyaniline
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2-amino-4-phenylmethoxycyclohexa-1,3-dien-1-ol
CID 173155015
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
5-phenylmethoxypyrimidin-2-amine
CID 20748397
ethane;phenylmethoxymethylbenzene
CID 90943549
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
4-phenylmethoxyaniline
CID 159966727
3-methyl-1-phenylmethoxycyclopentadecene
CID 68819057
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
5-phenylmethoxy-2,3-dihydro-1H-pyrrole
CID 141242168

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylmethoxy-4H-azepin-6-amine?
The IUPAC name of ethane;3-phenylmethoxy-4H-azepin-6-amine (CID 143276034) is ethane;3-phenylmethoxy-4H-azepin-6-amine.
What is the SMILES notation for ethane;3-phenylmethoxy-4H-azepin-6-amine?
The canonical SMILES for ethane;3-phenylmethoxy-4H-azepin-6-amine is CC.NC1=CCC(OCc2ccccc2)=CN=C1.
What is the InChIKey of ethane;3-phenylmethoxy-4H-azepin-6-amine?
The InChIKey is IAWTYWFAZWXRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C2H6/c14-12-6-7-13(9-15-8-12)16-10-11-4-2-1-3-5-11;1-2/h1-6,8-9H,7,10,14H2;1-2H3.
What are the key properties of ethane;3-phenylmethoxy-4H-azepin-6-amine?
ethane;3-phenylmethoxy-4H-azepin-6-amine has a molecular weight of 244.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylmethoxy-4H-azepin-6-amine is sourced from PubChem (CID 143276034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).