N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine

C14H24N2O2 — CID 14998841

IUPACN-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-4-5-8-15-9-10-16-12-6-7-13(17-2)14(11-12)18-3/h6-7,11,15-16H,4-5,8-10H2,1-3H3
InChIKeyMJHFPDQYCJPLKS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.51
Rot. Bonds9

About N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine

N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 14998841) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID14998841
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-4-5-8-15-9-10-16-12-6-7-13(17-2)14(11-12)18-3/h6-7,11,15-16H,4-5,8-10H2,1-3H3
InChIKeyMJHFPDQYCJPLKS-UHFFFAOYSA-N
XLogP2.51
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.51
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'}

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879
N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine
CID 56980865
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
N-butyl-3,4-dipropoxyaniline
CID 83961551
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-hept-6-enyl-3,4-dimethoxyaniline
CID 107006447
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
CID 70368312
N-fluoro-3,4-dimethoxyaniline
CID 91259644
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine (CID 14998841) is N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine is CCCCNCCNc1ccc(OC)c(OC)c1.
What is the InChIKey of N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is MJHFPDQYCJPLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-8-15-9-10-16-12-6-7-13(17-2)14(11-12)18-3/h6-7,11,15-16H,4-5,8-10H2,1-3H3.
What are the key properties of N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 14998841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).