2-N-(2-methoxyphenyl)pentane-1,2-diamine

C12H20N2O — CID 65385480

IUPAC2-N-(2-methoxyphenyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccccc1OC
InChIInChI=1S/C12H20N2O/c1-3-6-10(9-13)14-11-7-4-5-8-12(11)15-2/h4-5,7-8,10,14H,3,6,9,13H2,1-2H3
InChIKeyIKVIZELNOZIZDQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.23
Rot. Bonds6

About 2-N-(2-methoxyphenyl)pentane-1,2-diamine

2-N-(2-methoxyphenyl)pentane-1,2-diamine (PubChem CID 65385480) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)pentane-1,2-diamine
PubChem CID65385480
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-N-(2-methoxyphenyl)pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccccc1OC
InChIInChI=1S/C12H20N2O/c1-3-6-10(9-13)14-11-7-4-5-8-12(11)15-2/h4-5,7-8,10,14H,3,6,9,13H2,1-2H3
InChIKeyIKVIZELNOZIZDQ-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)pentane-1,2-diamine (CID 65385480) is 2-N-(2-methoxyphenyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)pentane-1,2-diamine is CCCC(CN)Nc1ccccc1OC.
What is the InChIKey of 2-N-(2-methoxyphenyl)pentane-1,2-diamine?
The InChIKey is IKVIZELNOZIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-10(9-13)14-11-7-4-5-8-12(11)15-2/h4-5,7-8,10,14H,3,6,9,13H2,1-2H3.
What are the key properties of 2-N-(2-methoxyphenyl)pentane-1,2-diamine?
2-N-(2-methoxyphenyl)pentane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)pentane-1,2-diamine is sourced from PubChem (CID 65385480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).