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

C17H30N2O — CID 66454325

IUPAC1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCOc1ccccc1CC(C)N(C)CC(C)(C)C(C)N
InChIInChI=1S/C17H30N2O/c1-13(19(5)12-17(3,4)14(2)18)11-15-9-7-8-10-16(15)20-6/h7-10,13-14H,11-12,18H2,1-6H3
InChIKeyZHFQTPJRFYCUIU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.93
Rot. Bonds7

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

1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine (PubChem CID 66454325) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
PubChem CID66454325
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCOc1ccccc1CC(C)N(C)CC(C)(C)C(C)N
InChIInChI=1S/C17H30N2O/c1-13(19(5)12-17(3,4)14(2)18)11-15-9-7-8-10-16(15)20-6/h7-10,13-14H,11-12,18H2,1-6H3
InChIKeyZHFQTPJRFYCUIU-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449
5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
CID 115984767
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine (CID 66454325) is 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine is COc1ccccc1CC(C)N(C)CC(C)(C)C(C)N.
What is the InChIKey of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine?
The InChIKey is ZHFQTPJRFYCUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(19(5)12-17(3,4)14(2)18)11-15-9-7-8-10-16(15)20-6/h7-10,13-14H,11-12,18H2,1-6H3.
What are the key properties of 1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine?
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.93, 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,2,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 66454325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).