3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine

C16H20N2O — CID 107844867

IUPAC3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCOc1cccc(CCNc2cccc(N)c2C)c1
InChIInChI=1S/C16H20N2O/c1-12-15(17)7-4-8-16(12)18-10-9-13-5-3-6-14(11-13)19-2/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyZCMVAVRVOROJSM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds5

About 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine

3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine (PubChem CID 107844867) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
PubChem CID107844867
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCOc1cccc(CCNc2cccc(N)c2C)c1
InChIInChI=1S/C16H20N2O/c1-12-15(17)7-4-8-16(12)18-10-9-13-5-3-6-14(11-13)19-2/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyZCMVAVRVOROJSM-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-nitroaniline
CID 107851184
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
5-amino-2-[2-(3-methoxyphenyl)ethylamino]benzonitrile
CID 107845117
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107845304
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
5-bromo-2-[2-(3-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 107854640

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine (CID 107844867) is 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine is COc1cccc(CCNc2cccc(N)c2C)c1.
What is the InChIKey of 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine?
The InChIKey is ZCMVAVRVOROJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-15(17)7-4-8-16(12)18-10-9-13-5-3-6-14(11-13)19-2/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine?
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 107844867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).