2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride

C23H32ClNO4 — CID 90679135

IUPAC2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(CC2CCC(Cc3ccc(OC)c(OC)c3)C2N)cc1OC.Cl
InChIInChI=1S/C23H31NO4.ClH/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4;/h5-6,9-10,13-14,17-18,23H,7-8,11-12,24H2,1-4H3;1H
InChIKeyZBGMJUPSDGYCKS-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.28
Rot. Bonds8

About 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride

2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride (PubChem CID 90679135) has the molecular formula C23H32ClNO4 and a molecular weight of 421.97 g/mol. Its IUPAC name is 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
PubChem CID90679135
Molecular FormulaC23H32ClNO4
Molecular Weight421.97 g/mol
Exact Mass421.20
IUPAC Name2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(CC2CCC(Cc3ccc(OC)c(OC)c3)C2N)cc1OC.Cl
InChIInChI=1S/C23H31NO4.ClH/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4;/h5-6,9-10,13-14,17-18,23H,7-8,11-12,24H2,1-4H3;1H
InChIKeyZBGMJUPSDGYCKS-UHFFFAOYSA-N
XLogP4.28
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13184641
(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
CID 135056530
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
(3S,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 10993417
2-(4-ethyl-2-methoxyphenoxy)cyclohexan-1-amine
CID 107664389

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride (CID 90679135) is 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride is COc1ccc(CC2CCC(Cc3ccc(OC)c(OC)c3)C2N)cc1OC.Cl.
What is the InChIKey of 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride?
The InChIKey is ZBGMJUPSDGYCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4.ClH/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4;/h5-6,9-10,13-14,17-18,23H,7-8,11-12,24H2,1-4H3;1H.
What are the key properties of 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride?
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 90679135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).