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

C10H16N2O — CID 65383995

IUPAC2-N-(2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccccc1NC(C)CN
InChIInChI=1S/C10H16N2O/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8,12H,7,11H2,1-2H3
InChIKeyDPFROERAUBWECR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.45
Rot. Bonds4

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

2-N-(2-methoxyphenyl)propane-1,2-diamine (PubChem CID 65383995) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)propane-1,2-diamine
PubChem CID65383995
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-N-(2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccccc1NC(C)CN
InChIInChI=1S/C10H16N2O/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8,12H,7,11H2,1-2H3
InChIKeyDPFROERAUBWECR-UHFFFAOYSA-N
XLogP1.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
2-(1-aminopropan-2-ylamino)phenol
CID 105433034
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)propane-1,2-diamine (CID 65383995) is 2-N-(2-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)propane-1,2-diamine is COc1ccccc1NC(C)CN.
What is the InChIKey of 2-N-(2-methoxyphenyl)propane-1,2-diamine?
The InChIKey is DPFROERAUBWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 2-N-(2-methoxyphenyl)propane-1,2-diamine?
2-N-(2-methoxyphenyl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 65383995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).