N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine

C14H23NO2 — CID 114099391

IUPACN-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCCc1ccccc1CNCC(COC)OC
InChIInChI=1S/C14H23NO2/c1-4-12-7-5-6-8-13(12)9-15-10-14(17-3)11-16-2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyNKAYLROJKAJFQP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.00
Rot. Bonds8

About N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine

N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine (PubChem CID 114099391) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
PubChem CID114099391
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCCc1ccccc1CNCC(COC)OC
InChIInChI=1S/C14H23NO2/c1-4-12-7-5-6-8-13(12)9-15-10-14(17-3)11-16-2/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyNKAYLROJKAJFQP-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 113368892
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 113368914
2-[2-[[(3-methoxy-2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 115461875
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
4-[(2,3-dimethoxypropylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 114100940
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
CID 114100553
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine (CID 114099391) is N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine is CCc1ccccc1CNCC(COC)OC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine?
The InChIKey is NKAYLROJKAJFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-7-5-6-8-13(12)9-15-10-14(17-3)11-16-2/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine?
N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 114099391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).