ethane;molecular hydrogen;4-phenylmethoxyaniline

C15H21NO — CID 142075027

IUPACethane;molecular hydrogen;4-phenylmethoxyaniline
SMILESCC.Nc1ccc(OCc2ccccc2)cc1.[H][H]
InChIInChI=1S/C13H13NO.C2H6.H2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2;/h1-9H,10,14H2;1-2H3;1H
InChIKeyXAWZODDHIOHDCD-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.12
Rot. Bonds3

About ethane;molecular hydrogen;4-phenylmethoxyaniline

ethane;molecular hydrogen;4-phenylmethoxyaniline (PubChem CID 142075027) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;molecular hydrogen;4-phenylmethoxyaniline.

Molecular Properties

Compound Nameethane;molecular hydrogen;4-phenylmethoxyaniline
PubChem CID142075027
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameethane;molecular hydrogen;4-phenylmethoxyaniline
SMILESCC.Nc1ccc(OCc2ccccc2)cc1.[H][H]
InChIInChI=1S/C13H13NO.C2H6.H2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2;/h1-9H,10,14H2;1-2H3;1H
InChIKeyXAWZODDHIOHDCD-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethane;molecular hydrogen;4-phenylmethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylmethoxyaniline
CID 159966727
4-(phenoxymethyl)aniline
CID 12712561
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-phenylmethoxy-4-propoxybenzene
CID 10728874
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
4-ethoxyaniline;phenylmethanamine
CID 172737441
4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid
CID 145159200

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;4-phenylmethoxyaniline?
The IUPAC name of ethane;molecular hydrogen;4-phenylmethoxyaniline (CID 142075027) is ethane;molecular hydrogen;4-phenylmethoxyaniline.
What is the SMILES notation for ethane;molecular hydrogen;4-phenylmethoxyaniline?
The canonical SMILES for ethane;molecular hydrogen;4-phenylmethoxyaniline is CC.Nc1ccc(OCc2ccccc2)cc1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;4-phenylmethoxyaniline?
The InChIKey is XAWZODDHIOHDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C2H6.H2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-2;/h1-9H,10,14H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;4-phenylmethoxyaniline?
ethane;molecular hydrogen;4-phenylmethoxyaniline has a molecular weight of 231.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;4-phenylmethoxyaniline is sourced from PubChem (CID 142075027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).