1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine

C15H26N2O — CID 65487594

IUPAC1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
SMILESCCC(N)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-14(16)11-17(3)12(2)10-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyQCBOKYAFROQPJW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds7

About 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine

1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine (PubChem CID 65487594) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
PubChem CID65487594
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
SMILESCCC(N)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-14(16)11-17(3)12(2)10-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyQCBOKYAFROQPJW-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
methyl 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-(methylamino)propanoate
CID 65486136
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
trifluoro-[3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]prop-1-en-2-yl]boranuide
CID 106746134
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 65486312
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine (CID 65487594) is 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine is CCC(N)CN(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine?
The InChIKey is QCBOKYAFROQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14(16)11-17(3)12(2)10-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3.
What are the key properties of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine?
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 65487594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).