N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C14H24N2O — CID 113405276

IUPACN-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(CNCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-17-14-7-5-13(6-8-14)11-15-9-10-16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyPQQMSJBNABMDIN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 113405276) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID113405276
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(CNCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-17-14-7-5-13(6-8-14)11-15-9-10-16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyPQQMSJBNABMDIN-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[(4-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 55173586
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 113405276) is N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is CCOc1ccc(CNCCNC(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PQQMSJBNABMDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-14-7-5-13(6-8-14)11-15-9-10-16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113405276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).