1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride

C16H22ClNO2 — CID 170889238

IUPAC1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OC)c2ccc(OC)cc12.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-4-12(17)9-11-5-8-16(19-3)14-7-6-13(18-2)10-15(11)14;/h5-8,10,12H,4,9,17H2,1-3H3;1H
InChIKeyGAADTAZLSHJCTN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.56
Rot. Bonds5

About 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride

1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride (PubChem CID 170889238) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
PubChem CID170889238
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OC)c2ccc(OC)cc12.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-4-12(17)9-11-5-8-16(19-3)14-7-6-13(18-2)10-15(11)14;/h5-8,10,12H,4,9,17H2,1-3H3;1H
InChIKeyGAADTAZLSHJCTN-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
CID 157306599
6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride
CID 170890743
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[2-methoxy-4-(trifluoromethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889486
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride (CID 170889238) is 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride is CCC(N)Cc1ccc(OC)c2ccc(OC)cc12.Cl.
What is the InChIKey of 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The InChIKey is GAADTAZLSHJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-4-12(17)9-11-5-8-16(19-3)14-7-6-13(18-2)10-15(11)14;/h5-8,10,12H,4,9,17H2,1-3H3;1H.
What are the key properties of 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).