N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine

C14H24N2O — CID 113285685

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

About N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine

N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 113285685) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
PubChem CID113285685
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
SMILESCCCOc1ccc(CN(C)CCCN)cc1
InChIInChI=1S/C14H24N2O/c1-3-11-17-14-7-5-13(6-8-14)12-16(2)10-4-9-15/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyGZOHVNBXTUUEOD-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'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
CID 62682748
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine (CID 113285685) is N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine is CCCOc1ccc(CN(C)CCCN)cc1.
What is the InChIKey of N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is GZOHVNBXTUUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11-17-14-7-5-13(6-8-14)12-16(2)10-4-9-15/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine?
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-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'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 113285685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).