2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine

C12H20N2O — CID 61420599

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)C(C)CN)cc1
InChIInChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-4-6-12(15-3)7-5-11/h4-7,10H,8-9,13H2,1-3H3
InChIKeyBLXQLVDWLITFCH-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.47
Rot. Bonds5

About 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 61420599) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID61420599
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)C(C)CN)cc1
InChIInChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-4-6-12(15-3)7-5-11/h4-7,10H,8-9,13H2,1-3H3
InChIKeyBLXQLVDWLITFCH-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
4-[[1-aminopropan-2-yl(methyl)amino]methyl]phenol
CID 104556834
3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 61420599) is 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is COc1ccc(CN(C)C(C)CN)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is BLXQLVDWLITFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-4-6-12(15-3)7-5-11/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 61420599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).