(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride

C15H24ClNO3 — CID 171219149

IUPAC(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C2CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-17-12-8-11(9-13(18-2)15(12)19-3)14(16)10-6-4-5-7-10;/h8-10,14H,4-7,16H2,1-3H3;1H/t14-;/m0./s1
InChIKeyHQNZLSOLTKCJQY-UQKRIMTDSA-N
MW301.81 g/mol
LogP3.32
Rot. Bonds5

About (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride

(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171219149) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
PubChem CID171219149
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C2CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-17-12-8-11(9-13(18-2)15(12)19-3)14(16)10-6-4-5-7-10;/h8-10,14H,4-7,16H2,1-3H3;1H/t14-;/m0./s1
InChIKeyHQNZLSOLTKCJQY-UQKRIMTDSA-N
XLogP3.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
4-[(R)-amino(cyclopentyl)methyl]-2-methoxy-6-nitrophenol;hydrochloride
CID 171208100
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride (CID 171219149) is (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride is COc1cc([C@@H](N)C2CCCC2)cc(OC)c1OC.Cl.
What is the InChIKey of (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is HQNZLSOLTKCJQY-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-17-12-8-11(9-13(18-2)15(12)19-3)14(16)10-6-4-5-7-10;/h8-10,14H,4-7,16H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).