2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine

C16H28N2O — CID 115138276

IUPAC2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
SMILESCCc1cc(CCNC(CN)C(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-5-14-10-13(6-7-16(14)19-4)8-9-18-15(11-17)12(2)3/h6-7,10,12,15,18H,5,8-9,11,17H2,1-4H3
InChIKeyRPFYIVIDIKQNFZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.37
Rot. Bonds8

About 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine

2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine (PubChem CID 115138276) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
PubChem CID115138276
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
SMILESCCc1cc(CCNC(CN)C(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-5-14-10-13(6-7-16(14)19-4)8-9-18-15(11-17)12(2)3/h6-7,10,12,15,18H,5,8-9,11,17H2,1-4H3
InChIKeyRPFYIVIDIKQNFZ-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
2-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 106345493
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine (CID 115138276) is 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine is CCc1cc(CCNC(CN)C(C)C)ccc1OC.
What is the InChIKey of 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
The InChIKey is RPFYIVIDIKQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-14-10-13(6-7-16(14)19-4)8-9-18-15(11-17)12(2)3/h6-7,10,12,15,18H,5,8-9,11,17H2,1-4H3.
What are the key properties of 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine?
2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115138276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).