N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine

C15H26N2O — CID 65430284

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-3-11-17(12-4-10-16)13-9-14-5-7-15(18-2)8-6-14/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeyFZKQNOYGTMVXOK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds9

About N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 65430284) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID65430284
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O/c1-3-11-17(12-4-10-16)13-9-14-5-7-15(18-2)8-6-14/h5-8H,3-4,9-13,16H2,1-2H3
InChIKeyFZKQNOYGTMVXOK-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
3-[2-(4-methoxyphenyl)ethylsulfanyl]propan-1-amine
CID 66217832
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine (CID 65430284) is N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CCCN)CCc1ccc(OC)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is FZKQNOYGTMVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-11-17(12-4-10-16)13-9-14-5-7-15(18-2)8-6-14/h5-8H,3-4,9-13,16H2,1-2H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 65430284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).