N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine

C18H32N2O — CID 65486907

IUPACN'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-6-11-18(3,13-19)14-20(4)15(2)12-16-9-7-8-10-17(16)21-5/h7-10,15H,6,11-14,19H2,1-5H3
InChIKeyPEWYPTDXJBOMBN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.32
Rot. Bonds9

About N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine

N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine (PubChem CID 65486907) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
PubChem CID65486907
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-6-11-18(3,13-19)14-20(4)15(2)12-16-9-7-8-10-17(16)21-5/h7-10,15H,6,11-14,19H2,1-5H3
InChIKeyPEWYPTDXJBOMBN-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-methylbutan-2-ol
CID 79361996
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpentanamide
CID 65487447
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
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
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine (CID 65486907) is N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine is CCCC(C)(CN)CN(C)C(C)Cc1ccccc1OC.
What is the InChIKey of N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
The InChIKey is PEWYPTDXJBOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-11-18(3,13-19)14-20(4)15(2)12-16-9-7-8-10-17(16)21-5/h7-10,15H,6,11-14,19H2,1-5H3.
What are the key properties of N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine?
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).