N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine

C13H21NO — CID 78815360

IUPACN-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
SMILESCCOc1ccc(CN(C)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-5-15-13-8-6-12(7-9-13)10-14(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRMHGIJMICGIEHW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine

N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 78815360) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
PubChem CID78815360
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
SMILESCCOc1ccc(CN(C)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-5-15-13-8-6-12(7-9-13)10-14(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRMHGIJMICGIEHW-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111274737
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine (CID 78815360) is N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine is CCOc1ccc(CN(C)C(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is RMHGIJMICGIEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-15-13-8-6-12(7-9-13)10-14(4)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine?
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 78815360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).