N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine

C14H24N2O — CID 62155475

IUPACN'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O/c1-4-16(9-5-8-15)11-13-10-12(2)6-7-14(13)17-3/h6-7,10H,4-5,8-9,11,15H2,1-3H3
InChIKeyHITXOARQAPIODZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds7

About N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 62155475) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
PubChem CID62155475
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O/c1-4-16(9-5-8-15)11-13-10-12(2)6-7-14(13)17-3/h6-7,10H,4-5,8-9,11,15H2,1-3H3
InChIKeyHITXOARQAPIODZ-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76936773
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine (CID 62155475) is N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine is CCN(CCCN)Cc1cc(C)ccc1OC.
What is the InChIKey of N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is HITXOARQAPIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(9-5-8-15)11-13-10-12(2)6-7-14(13)17-3/h6-7,10H,4-5,8-9,11,15H2,1-3H3.
What are the key properties of N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62155475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).