N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine

C15H26N2O — CID 113410220

IUPACN'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCc1cccc(OC)c1
InChIInChI=1S/C15H26N2O/c1-3-9-16-10-5-11-17-12-8-14-6-4-7-15(13-14)18-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3
InChIKeyMRPFHKGCBGASGZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds10

About N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine

N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine (PubChem CID 113410220) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
PubChem CID113410220
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCCc1cccc(OC)c1
InChIInChI=1S/C15H26N2O/c1-3-9-16-10-5-11-17-12-8-14-6-4-7-15(13-14)18-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3
InChIKeyMRPFHKGCBGASGZ-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
1-methoxy-3-propylbenzene
CID 14270128
N-[2-(3-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 103846287
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-methoxy-3-nonadecylbenzene
CID 154507578
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine (CID 113410220) is N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine is CCCNCCCNCCc1cccc(OC)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine?
The InChIKey is MRPFHKGCBGASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-9-16-10-5-11-17-12-8-14-6-4-7-15(13-14)18-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3.
What are the key properties of N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine?
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 113410220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).