N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine

C14H24N2O — CID 114231048

IUPACN'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCOc1ccc(CN(CC)CCN)cc1
InChIInChI=1S/C14H24N2O/c1-3-11-17-14-7-5-13(6-8-14)12-16(4-2)10-9-15/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyWUHPRBPUUKGGTE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.26
Rot. Bonds8

About N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 114231048) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID114231048
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCCOc1ccc(CN(CC)CCN)cc1
InChIInChI=1S/C14H24N2O/c1-3-11-17-14-7-5-13(6-8-14)12-16(4-2)10-9-15/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyWUHPRBPUUKGGTE-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-ethyl-2-(2-fluorophenyl)-N-[(4-octoxyphenyl)methyl]ethanamine
CID 91080596
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
CID 61450798

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine (CID 114231048) is N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine is CCCOc1ccc(CN(CC)CCN)cc1.
What is the InChIKey of N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is WUHPRBPUUKGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11-17-14-7-5-13(6-8-14)12-16(4-2)10-9-15/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 114231048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).