1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride

C15H27ClN2O — CID 170890383

IUPAC1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
SMILESCCOc1ccc(CN(C)C)cc1CC(N)CC.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-5-14(16)10-13-9-12(11-17(3)4)7-8-15(13)18-6-2;/h7-9,14H,5-6,10-11,16H2,1-4H3;1H
InChIKeyBICZEVYLODVVKG-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.85
Rot. Bonds7

About 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride

1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride (PubChem CID 170890383) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
PubChem CID170890383
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride
SMILESCCOc1ccc(CN(C)C)cc1CC(N)CC.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-5-14(16)10-13-9-12(11-17(3)4)7-8-15(13)18-6-2;/h7-9,14H,5-6,10-11,16H2,1-4H3;1H
InChIKeyBICZEVYLODVVKG-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
CID 83942546
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
CID 176553691

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride (CID 170890383) is 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride is CCOc1ccc(CN(C)C)cc1CC(N)CC.Cl.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride?
The InChIKey is BICZEVYLODVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-5-14(16)10-13-9-12(11-17(3)4)7-8-15(13)18-6-2;/h7-9,14H,5-6,10-11,16H2,1-4H3;1H.
What are the key properties of 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride?
1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).