N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

C23H34N2O2 — CID 54808448

IUPACN'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCCCCCOc1ccc(NCCNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H34N2O2/c1-3-4-5-6-7-18-27-23-14-10-21(11-15-23)25-17-16-24-19-20-8-12-22(26-2)13-9-20/h8-15,24-25H,3-7,16-19H2,1-2H3
InChIKeyDDKZKLVLUCIXGK-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.25
Rot. Bonds14

About N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54808448) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54808448
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCCCCCOc1ccc(NCCNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H34N2O2/c1-3-4-5-6-7-18-27-23-14-10-21(11-15-23)25-17-16-24-19-20-8-12-22(26-2)13-9-20/h8-15,24-25H,3-7,16-19H2,1-2H3
InChIKeyDDKZKLVLUCIXGK-UHFFFAOYSA-N
XLogP5.25
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine 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

N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N'-(3-heptoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808048
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 54808448) is N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is CCCCCCCOc1ccc(NCCNCc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is DDKZKLVLUCIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-4-5-6-7-18-27-23-14-10-21(11-15-23)25-17-16-24-19-20-8-12-22(26-2)13-9-20/h8-15,24-25H,3-7,16-19H2,1-2H3.
What are the key properties of N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 370.54 g/mol, XLogP of 5.25, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-heptoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).