(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride

C15H20ClN — CID 171228525

IUPAC(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-3-6-15(16)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15H,3,6,16H2,1-2H3;1H/t15-;/m0./s1
InChIKeyRCRSBHBFQOMQAK-RSAXXLAASA-N
MW249.78 g/mol
LogP4.37
Rot. Bonds3

About (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride

(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride (PubChem CID 171228525) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
PubChem CID171228525
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-3-6-15(16)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15H,3,6,16H2,1-2H3;1H/t15-;/m0./s1
InChIKeyRCRSBHBFQOMQAK-RSAXXLAASA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171313788
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride (CID 171228525) is (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride is CCC[C@H](N)c1ccc(C)c2ccccc12.Cl.
What is the InChIKey of (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride?
The InChIKey is RCRSBHBFQOMQAK-RSAXXLAASA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-3-6-15(16)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15H,3,6,16H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride?
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171228525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).