3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride

C21H23Cl2NO — CID 71723808

IUPAC3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
SMILESC[C@@H](NCCCOc1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H22ClNO.ClH/c1-16(18-11-6-9-17-8-2-3-10-19(17)18)23-14-7-15-24-21-13-5-4-12-20(21)22;/h2-6,8-13,16,23H,7,14-15H2,1H3;1H/t16-;/m1./s1
InChIKeyPQUYVYUNGDLVSF-PKLMIRHRSA-N
MW376.33 g/mol
LogP6.03
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride

3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride (PubChem CID 71723808) has the molecular formula C21H23Cl2NO and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
PubChem CID71723808
Molecular FormulaC21H23Cl2NO
Molecular Weight376.33 g/mol
Exact Mass375.12
IUPAC Name3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
SMILESC[C@@H](NCCCOc1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H22ClNO.ClH/c1-16(18-11-6-9-17-8-2-3-10-19(17)18)23-14-7-15-24-21-13-5-4-12-20(21)22;/h2-6,8-13,16,23H,7,14-15H2,1H3;1H/t16-;/m1./s1
InChIKeyPQUYVYUNGDLVSF-PKLMIRHRSA-N
XLogP6.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
CID 129364517
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695450
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride (CID 71723808) is 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride is C[C@@H](NCCCOc1ccccc1Cl)c1cccc2ccccc12.Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride?
The InChIKey is PQUYVYUNGDLVSF-PKLMIRHRSA-N. The full InChI is InChI=1S/C21H22ClNO.ClH/c1-16(18-11-6-9-17-8-2-3-10-19(17)18)23-14-7-15-24-21-13-5-4-12-20(21)22;/h2-6,8-13,16,23H,7,14-15H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride?
3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 71723808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).