4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine

C25H36N4O2 — CID 70275717

IUPAC4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1.NCCc1ccc(N)cc1.NCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO.C8H12N2.C8H11NO/c1-11-9-4-2-8(3-5-9)6-7-10;2*9-6-5-7-1-3-8(10)4-2-7/h2-5H,6-7,10H2,1H3;1-4H,5-6,9-10H2;1-4,10H,5-6,9H2
InChIKeyBJRKJSXSIHKIFC-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.86
Rot. Bonds7

About 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine

4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine (PubChem CID 70275717) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
PubChem CID70275717
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCN)cc1.NCCc1ccc(N)cc1.NCCc1ccc(O)cc1
InChIInChI=1S/C9H13NO.C8H12N2.C8H11NO/c1-11-9-4-2-8(3-5-9)6-7-10;2*9-6-5-7-1-3-8(10)4-2-7/h2-5H,6-7,10H2,1H3;1-4H,5-6,9-10H2;1-4,10H,5-6,9H2
InChIKeyBJRKJSXSIHKIFC-UHFFFAOYSA-N
XLogP2.86
TPSA133.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine 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-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
methane;4-methoxyphenol
CID 159494332
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine (CID 70275717) is 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine is COc1ccc(CCN)cc1.NCCc1ccc(N)cc1.NCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine?
The InChIKey is BJRKJSXSIHKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C8H12N2.C8H11NO/c1-11-9-4-2-8(3-5-9)6-7-10;2*9-6-5-7-1-3-8(10)4-2-7/h2-5H,6-7,10H2,1H3;1-4H,5-6,9-10H2;1-4,10H,5-6,9H2.
What are the key properties of 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine?
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine has a molecular weight of 424.59 g/mol, XLogP of 2.86, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 70275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).