(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride

C16H22ClNO — CID 171212960

IUPAC(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-4-11(2)16(17)15-13-8-6-5-7-12(13)9-10-14(15)18-3;/h5-11,16H,4,17H2,1-3H3;1H/t11?,16-;/m1./s1
InChIKeyVAGXXIFZURLGPL-XZQUYJRXSA-N
MW279.81 g/mol
LogP4.32
Rot. Bonds4

About (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride

(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171212960) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171212960
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1c(OC)ccc2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-4-11(2)16(17)15-13-8-6-5-7-12(13)9-10-14(15)18-3;/h5-11,16H,4,17H2,1-3H3;1H/t11?,16-;/m1./s1
InChIKeyVAGXXIFZURLGPL-XZQUYJRXSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride
CID 171264846
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride (CID 171212960) is (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1c(OC)ccc2ccccc12.Cl.
What is the InChIKey of (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is VAGXXIFZURLGPL-XZQUYJRXSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-4-11(2)16(17)15-13-8-6-5-7-12(13)9-10-14(15)18-3;/h5-11,16H,4,17H2,1-3H3;1H/t11?,16-;/m1./s1.
What are the key properties of (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride?
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171212960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).