2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C17H30N2O — CID 62260071

IUPAC2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(C)c1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-7-17(4,12-18-14(2)3)13-19(5)15-9-8-10-16(11-15)20-6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyCYZSMAYRSVBUKU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.55
Rot. Bonds8

About 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62260071) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62260071
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(C)c1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-7-17(4,12-18-14(2)3)13-19(5)15-9-8-10-16(11-15)20-6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyCYZSMAYRSVBUKU-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-N-methylaniline
CID 65003789
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62292816
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62260071) is 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNC(C)C)CN(C)c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CYZSMAYRSVBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-17(4,12-18-14(2)3)13-19(5)15-9-8-10-16(11-15)20-6/h8-11,14,18H,7,12-13H2,1-6H3.
What are the key properties of 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62260071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).