N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine

C14H24N2O — CID 107441924

IUPACN'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCCOc1cccc(NCC(CN)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-4-17-14-7-5-6-13(8-14)16-10-12(9-15)11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3
InChIKeyDTFVTZHELUGZHX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.73
Rot. Bonds7

About N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441924) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441924
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCCOc1cccc(NCC(CN)C(C)C)c1
InChIInChI=1S/C14H24N2O/c1-4-17-14-7-5-6-13(8-14)16-10-12(9-15)11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3
InChIKeyDTFVTZHELUGZHX-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol
CID 107441950
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
3-ethoxy-N-propylaniline
CID 54800867
N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441519
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800925
N-tert-butyl-3-ethoxyaniline
CID 58745523
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441924) is N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine is CCOc1cccc(NCC(CN)C(C)C)c1.
What is the InChIKey of N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DTFVTZHELUGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-14-7-5-6-13(8-14)16-10-12(9-15)11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3.
What are the key properties of N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).