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

C14H24N2O — CID 106345493

IUPAC2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
SMILESCOc1ccccc1CCNC(CN)C(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)13(10-15)16-9-8-12-6-4-5-7-14(12)17-3/h4-7,11,13,16H,8-10,15H2,1-3H3
InChIKeyJIGWXCNQXYKODI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.81
Rot. Bonds7

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

2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine (PubChem CID 106345493) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
PubChem CID106345493
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
SMILESCOc1ccccc1CCNC(CN)C(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)13(10-15)16-9-8-12-6-4-5-7-14(12)17-3/h4-7,11,13,16H,8-10,15H2,1-3H3
InChIKeyJIGWXCNQXYKODI-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 115138276
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
1-methoxy-N-[2-(2-methoxyphenyl)ethyl]butan-2-amine
CID 103775921
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine (CID 106345493) is 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine is COc1ccccc1CCNC(CN)C(C)C.
What is the InChIKey of 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The InChIKey is JIGWXCNQXYKODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13(10-15)16-9-8-12-6-4-5-7-14(12)17-3/h4-7,11,13,16H,8-10,15H2,1-3H3.
What are the key properties of 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).