(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride

C16H20ClNO — CID 171243613

IUPAC(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C16H19NO.ClH/c17-16(13-8-10-18-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15;/h1-7,13,16H,8-11,17H2;1H/t16-;/m0./s1
InChIKeyMOJOTNWSXYMZFE-NTISSMGPSA-N
MW277.80 g/mol
LogP3.69
Rot. Bonds2

About (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride

(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171243613) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
PubChem CID171243613
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C16H19NO.ClH/c17-16(13-8-10-18-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15;/h1-7,13,16H,8-11,17H2;1H/t16-;/m0./s1
InChIKeyMOJOTNWSXYMZFE-NTISSMGPSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
(4,4-dimethylcyclohexyl)-naphthalen-1-ylmethanamine
CID 65391024
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
CID 79597275
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584

Frequently Asked Questions

What is the IUPAC name of (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride (CID 171243613) is (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@H](c1cccc2ccccc12)C1CCOCC1.
What is the InChIKey of (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is MOJOTNWSXYMZFE-NTISSMGPSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c17-16(13-8-10-18-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15;/h1-7,13,16H,8-11,17H2;1H/t16-;/m0./s1.
What are the key properties of (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride?
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171243613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).