N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine

C17H28N2O — CID 103720680

IUPACN'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESC=CCOc1ccc(CNCCN(CC)CCC)cc1
InChIInChI=1S/C17H28N2O/c1-4-12-19(6-3)13-11-18-15-16-7-9-17(10-8-16)20-14-5-2/h5,7-10,18H,2,4,6,11-15H2,1,3H3
InChIKeyFUWUABAMJNUQBI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.07
Rot. Bonds11

About N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine

N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 103720680) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
PubChem CID103720680
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESC=CCOc1ccc(CNCCN(CC)CCC)cc1
InChIInChI=1S/C17H28N2O/c1-4-12-19(6-3)13-11-18-15-16-7-9-17(10-8-16)20-14-5-2/h5,7-10,18H,2,4,6,11-15H2,1,3H3
InChIKeyFUWUABAMJNUQBI-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
CID 54809733
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine (CID 103720680) is N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine is C=CCOc1ccc(CNCCN(CC)CCC)cc1.
What is the InChIKey of N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is FUWUABAMJNUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-12-19(6-3)13-11-18-15-16-7-9-17(10-8-16)20-14-5-2/h5,7-10,18H,2,4,6,11-15H2,1,3H3.
What are the key properties of N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine?
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103720680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).