N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine

C10H16N2O — CID 83961107

IUPACN'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
SMILESCOCc1ccc(NCCN)cc1
InChIInChI=1S/C10H16N2O/c1-13-8-9-2-4-10(5-3-9)12-7-6-11/h2-5,12H,6-8,11H2,1H3
InChIKeyCRAQAPJNVPBYBF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.20
Rot. Bonds5

About N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine

N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine (PubChem CID 83961107) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
PubChem CID83961107
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
SMILESCOCc1ccc(NCCN)cc1
InChIInChI=1S/C10H16N2O/c1-13-8-9-2-4-10(5-3-9)12-7-6-11/h2-5,12H,6-8,11H2,1H3
InChIKeyCRAQAPJNVPBYBF-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[4-(methoxymethyl)phenyl]ethane-1,2-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-[(4-methylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325618
N-[(4-ethylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325659
4-[(2S)-morpholin-2-yl]-N-(2-phenylethyl)aniline
CID 68325836
p-Toluidine, alpha-(2-(diethylamino)ethoxy)-
CID 211405
[4-(4-Methylpiperazin-1-yl)phenyl]methanol
CID 2776492
4-(Methoxymethyl)aniline
CID 15212002
p-Hexadecylaminobenzyl Acetate Hydrobromide
CID 20344518
4-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-hexadecylaniline
CID 20437345
2-[4-(Hexadecylamino)phenyl]oxazoline
CID 20437370
1-[4-(Hexadecylamino)phenyl]ethanol
CID 44280047
p-Hexadecylaminobenzyl alcohol
CID 44280121
[4-(Hexadecylamino)phenyl]methanol;hydrochloride
CID 45259683

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine (CID 83961107) is N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine is COCc1ccc(NCCN)cc1.
What is the InChIKey of N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine?
The InChIKey is CRAQAPJNVPBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-8-9-2-4-10(5-3-9)12-7-6-11/h2-5,12H,6-8,11H2,1H3.
What are the key properties of N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine?
N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methoxymethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 83961107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).