(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride

C16H22ClNO — CID 171269462

IUPAC(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)C(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-10(2)16(18)15(17)14-9-8-11(3)12-6-4-5-7-13(12)14;/h4-10,15-16,18H,17H2,1-3H3;1H/t15-,16+;/m0./s1
InChIKeyWFCPPLDNFNZIOH-IDVLALEDSA-N
MW279.81 g/mol
LogP3.59
Rot. Bonds3

About (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride

(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride (PubChem CID 171269462) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
PubChem CID171269462
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)C(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-10(2)16(18)15(17)14-9-8-11(3)12-6-4-5-7-13(12)14;/h4-10,15-16,18H,17H2,1-3H3;1H/t15-,16+;/m0./s1
InChIKeyWFCPPLDNFNZIOH-IDVLALEDSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride (CID 171269462) is (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride is Cc1ccc([C@H](N)[C@H](O)C(C)C)c2ccccc12.Cl.
What is the InChIKey of (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride?
The InChIKey is WFCPPLDNFNZIOH-IDVLALEDSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-10(2)16(18)15(17)14-9-8-11(3)12-6-4-5-7-13(12)14;/h4-10,15-16,18H,17H2,1-3H3;1H/t15-,16+;/m0./s1.
What are the key properties of (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride?
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171269462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).