2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine

C17H30N2O — CID 65483502

IUPAC2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)C(CN)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-13(19(5)16(12-18)17(2,3)4)11-14-9-7-8-10-15(14)20-6/h7-10,13,16H,11-12,18H2,1-6H3
InChIKeyISWBICWUYCQVBZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.93
Rot. Bonds6

About 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine (PubChem CID 65483502) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
PubChem CID65483502
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCOc1ccccc1CC(C)N(C)C(CN)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-13(19(5)16(12-18)17(2,3)4)11-14-9-7-8-10-15(14)20-6/h7-10,13,16H,11-12,18H2,1-6H3
InChIKeyISWBICWUYCQVBZ-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 65483111
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine (CID 65483502) is 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine is COc1ccccc1CC(C)N(C)C(CN)C(C)(C)C.
What is the InChIKey of 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine?
The InChIKey is ISWBICWUYCQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(19(5)16(12-18)17(2,3)4)11-14-9-7-8-10-15(14)20-6/h7-10,13,16H,11-12,18H2,1-6H3.
What are the key properties of 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine?
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 65483502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).