3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride

C14H18ClNO — CID 170874773

IUPAC3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCc1ccc(C(N)CCO)c2ccccc12.Cl
InChIInChI=1S/C14H17NO.ClH/c1-10-6-7-13(14(15)8-9-16)12-5-3-2-4-11(10)12;/h2-7,14,16H,8-9,15H2,1H3;1H
InChIKeyFQDLOQAWDHTSMZ-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride

3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride (PubChem CID 170874773) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
PubChem CID170874773
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCc1ccc(C(N)CCO)c2ccccc12.Cl
InChIInChI=1S/C14H17NO.ClH/c1-10-6-7-13(14(15)8-9-16)12-5-3-2-4-11(10)12;/h2-7,14,16H,8-9,15H2,1H3;1H
InChIKeyFQDLOQAWDHTSMZ-UHFFFAOYSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
CID 170874748
(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
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride (CID 170874773) is 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride is Cc1ccc(C(N)CCO)c2ccccc12.Cl.
What is the InChIKey of 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride?
The InChIKey is FQDLOQAWDHTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c1-10-6-7-13(14(15)8-9-16)12-5-3-2-4-11(10)12;/h2-7,14,16H,8-9,15H2,1H3;1H.
What are the key properties of 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride?
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).