1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine

C16H28N2O — CID 62411763

IUPAC1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-6-17-11-16(13(2)3)18(4)12-14-8-7-9-15(10-14)19-5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyLLGALYYZAOUHKI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.76
Rot. Bonds8

About 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine

1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 62411763) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
PubChem CID62411763
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-6-17-11-16(13(2)3)18(4)12-14-8-7-9-15(10-14)19-5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyLLGALYYZAOUHKI-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine (CID 62411763) is 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine is CCNCC(C(C)C)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is LLGALYYZAOUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-17-11-16(13(2)3)18(4)12-14-8-7-9-15(10-14)19-5/h7-10,13,16-17H,6,11-12H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine?
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62411763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).