(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride

C15H21ClN2O — CID 171219271

IUPAC(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2[nH]cc([C@@H](N)C3CCCC3)c2c1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-18-11-6-7-14-12(8-11)13(9-17-14)15(16)10-4-2-3-5-10;/h6-10,15,17H,2-5,16H2,1H3;1H/t15-;/m0./s1
InChIKeyPFJDDEBYRCUFKY-RSAXXLAASA-N
MW280.80 g/mol
LogP3.79
Rot. Bonds3

About (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride

(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride (PubChem CID 171219271) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
PubChem CID171219271
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2[nH]cc([C@@H](N)C3CCCC3)c2c1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-18-11-6-7-14-12(8-11)13(9-17-14)15(16)10-4-2-3-5-10;/h6-10,15,17H,2-5,16H2,1H3;1H/t15-;/m0./s1
InChIKeyPFJDDEBYRCUFKY-RSAXXLAASA-N
XLogP3.79
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
CID 83976595

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride (CID 171219271) is (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride is COc1ccc2[nH]cc([C@@H](N)C3CCCC3)c2c1.Cl.
What is the InChIKey of (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride?
The InChIKey is PFJDDEBYRCUFKY-RSAXXLAASA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-18-11-6-7-14-12(8-11)13(9-17-14)15(16)10-4-2-3-5-10;/h6-10,15,17H,2-5,16H2,1H3;1H/t15-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride?
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 171219271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).