1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

C16H28N2O — CID 60874089

IUPAC1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(CC)CC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-18(12-13(3)4)16(11-17)14-8-7-9-15(10-14)19-6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyDQMPVDKJUPRZMU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.06
Rot. Bonds8

About 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 60874089) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID60874089
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)N(CC)CC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-18(12-13(3)4)16(11-17)14-8-7-9-15(10-14)19-6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyDQMPVDKJUPRZMU-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 79481710
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
N-(cyclopentylmethyl)-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 63632101
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 60874089) is 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is CCOc1cccc(C(CN)N(CC)CC(C)C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DQMPVDKJUPRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(12-13(3)4)16(11-17)14-8-7-9-15(10-14)19-6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 60874089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).