N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine

C17H22N2O2 — CID 82538489

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
SMILESCOc1ccc(C(C)(C)CNc2cccnc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-17(2,12-19-14-6-5-9-18-11-14)13-7-8-15(20-3)16(10-13)21-4/h5-11,19H,12H2,1-4H3
InChIKeySAZCCXNCBXDNAX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine (PubChem CID 82538489) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
PubChem CID82538489
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
SMILESCOc1ccc(C(C)(C)CNc2cccnc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-17(2,12-19-14-6-5-9-18-11-14)13-7-8-15(20-3)16(10-13)21-4/h5-11,19H,12H2,1-4H3
InChIKeySAZCCXNCBXDNAX-UHFFFAOYSA-N
XLogP3.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442
4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133470525
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111105589
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
2-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115130626
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine (CID 82538489) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine is COc1ccc(C(C)(C)CNc2cccnc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine?
The InChIKey is SAZCCXNCBXDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,12-19-14-6-5-9-18-11-14)13-7-8-15(20-3)16(10-13)21-4/h5-11,19H,12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine is sourced from PubChem (CID 82538489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).