(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride

C16H26Cl2N2O — CID 154897459

IUPAC(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride
SMILESCOc1cccc([C@H]2CN(C3CCCC3)C[C@@H]2N)c1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-19-14-8-4-5-12(9-14)15-10-18(11-16(15)17)13-6-2-3-7-13;;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,17H2,1H3;2*1H/t15-,16+;;/m1../s1
InChIKeyXILMFJFBMLDJEJ-AFMFUHLNSA-N
MW333.30 g/mol
LogP3.21
Rot. Bonds3

About (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride

(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 154897459) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID154897459
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride
SMILESCOc1cccc([C@H]2CN(C3CCCC3)C[C@@H]2N)c1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-19-14-8-4-5-12(9-14)15-10-18(11-16(15)17)13-6-2-3-7-13;;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,17H2,1H3;2*1H/t15-,16+;;/m1../s1
InChIKeyXILMFJFBMLDJEJ-AFMFUHLNSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-cyclobutylmethanone;dihydrochloride
CID 154898067
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
1-[3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(cyclopropylmethylsulfanyl)ethanone
CID 156607132
(2S,3R,11bR)-9,10-dimethoxy-3-(3-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 10151388
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride (CID 154897459) is (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride is COc1cccc([C@H]2CN(C3CCCC3)C[C@@H]2N)c1.Cl.Cl.
What is the InChIKey of (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is XILMFJFBMLDJEJ-AFMFUHLNSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c1-19-14-8-4-5-12(9-14)15-10-18(11-16(15)17)13-6-2-3-7-13;;/h4-5,8-9,13,15-16H,2-3,6-7,10-11,17H2,1H3;2*1H/t15-,16+;;/m1../s1.
What are the key properties of (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride?
(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 154897459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).