3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine

C11H16N2O — CID 80726384

IUPAC3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(NCC2CC2)c1
InChIInChI=1S/C11H16N2O/c1-14-11-5-9(12)4-10(6-11)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyLONKSLWVZRWKQX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.10
Rot. Bonds4

About 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine

3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine (PubChem CID 80726384) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
PubChem CID80726384
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
SMILESCOc1cc(N)cc(NCC2CC2)c1
InChIInChI=1S/C11H16N2O/c1-14-11-5-9(12)4-10(6-11)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyLONKSLWVZRWKQX-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.10
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

3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
5-methoxy-3-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,3-diamine
CID 80739096
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxybenzene-1,3-diamine
CID 80736084
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
3-N-(1,4-dioxan-2-ylmethyl)-5-methoxybenzene-1,3-diamine
CID 80730753
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine (CID 80726384) is 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine is COc1cc(N)cc(NCC2CC2)c1.
What is the InChIKey of 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine?
The InChIKey is LONKSLWVZRWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-11-5-9(12)4-10(6-11)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine?
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine has a molecular weight of 192.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 80726384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).