(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride

C14H17ClFN — CID 171228539

IUPAC(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
SMILESCc1ccc([C@@H](N)CCF)c2ccccc12.Cl
InChIInChI=1S/C14H16FN.ClH/c1-10-6-7-13(14(16)8-9-15)12-5-3-2-4-11(10)12;/h2-7,14H,8-9,16H2,1H3;1H/t14-;/m0./s1
InChIKeyDBGQTROTPWAFLJ-UQKRIMTDSA-N
MW253.75 g/mol
LogP3.93
Rot. Bonds3

About (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride

(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride (PubChem CID 171228539) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
PubChem CID171228539
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
SMILESCc1ccc([C@@H](N)CCF)c2ccccc12.Cl
InChIInChI=1S/C14H16FN.ClH/c1-10-6-7-13(14(16)8-9-15)12-5-3-2-4-11(10)12;/h2-7,14H,8-9,16H2,1H3;1H/t14-;/m0./s1
InChIKeyDBGQTROTPWAFLJ-UQKRIMTDSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(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
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride (CID 171228539) is (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride is Cc1ccc([C@@H](N)CCF)c2ccccc12.Cl.
What is the InChIKey of (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride?
The InChIKey is DBGQTROTPWAFLJ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H16FN.ClH/c1-10-6-7-13(14(16)8-9-15)12-5-3-2-4-11(10)12;/h2-7,14H,8-9,16H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride?
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171228539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).