2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine

C15H25N3O2 — CID 118067780

IUPAC2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine
SMILESCOC[C@H](C)Nc1cc(C2CN(C)CCO2)ccc1N
InChIInChI=1S/C15H25N3O2/c1-11(10-19-3)17-14-8-12(4-5-13(14)16)15-9-18(2)6-7-20-15/h4-5,8,11,15,17H,6-7,9-10,16H2,1-3H3/t11-,15?/m0/s1
InChIKeyIZYFCNUIBAHFCN-VPHXOMNUSA-N
MW279.38 g/mol
LogP1.72
Rot. Bonds5

About 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine

2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine (PubChem CID 118067780) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine
PubChem CID118067780
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine
SMILESCOC[C@H](C)Nc1cc(C2CN(C)CCO2)ccc1N
InChIInChI=1S/C15H25N3O2/c1-11(10-19-3)17-14-8-12(4-5-13(14)16)15-9-18(2)6-7-20-15/h4-5,8,11,15,17H,6-7,9-10,16H2,1-3H3/t11-,15?/m0/s1
InChIKeyIZYFCNUIBAHFCN-VPHXOMNUSA-N
XLogP1.72
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine (CID 118067780) is 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine is COC[C@H](C)Nc1cc(C2CN(C)CCO2)ccc1N.
What is the InChIKey of 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine?
The InChIKey is IZYFCNUIBAHFCN-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(10-19-3)17-14-8-12(4-5-13(14)16)15-9-18(2)6-7-20-15/h4-5,8,11,15,17H,6-7,9-10,16H2,1-3H3/t11-,15?/m0/s1.
What are the key properties of 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine?
2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine has a molecular weight of 279.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylmorpholin-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 118067780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).