1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride

C15H20ClNO — CID 170888490

IUPAC1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C15H19NO.ClH/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2;/h4-9,12H,3,10,16H2,1-2H3;1H
InChIKeyKPVSOIHTFJKPAK-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride

1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride (PubChem CID 170888490) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
PubChem CID170888490
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C15H19NO.ClH/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2;/h4-9,12H,3,10,16H2,1-2H3;1H
InChIKeyKPVSOIHTFJKPAK-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
CID 54928850
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
CID 54929503
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
2-(2-methoxynaphthalen-1-yl)-1-pyridin-4-ylethanamine
CID 21148412
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 83973798
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride (CID 170888490) is 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride is CCC(N)Cc1c(OC)ccc2ccccc12.Cl.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
The InChIKey is KPVSOIHTFJKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)17-2;/h4-9,12H,3,10,16H2,1-2H3;1H.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride?
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170888490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).