3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine

C16H23ClN2 — CID 115561907

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
SMILESNC(CCN1CC2CCCC2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c17-15-6-4-12(5-7-15)16(18)8-9-19-10-13-2-1-3-14(13)11-19/h4-7,13-14,16H,1-3,8-11,18H2
InChIKeyWBXTTYNELIYOKZ-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.46
Rot. Bonds4

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine (PubChem CID 115561907) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
PubChem CID115561907
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
SMILESNC(CCN1CC2CCCC2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2/c17-15-6-4-12(5-7-15)16(18)8-9-19-10-13-2-1-3-14(13)11-19/h4-7,13-14,16H,1-3,8-11,18H2
InChIKeyWBXTTYNELIYOKZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62643280
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
[2-[(3S)-3-amino-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dichlorophenyl)methanone
CID 69147102

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine (CID 115561907) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine is NC(CCN1CC2CCCC2C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is WBXTTYNELIYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-6-4-12(5-7-15)16(18)8-9-19-10-13-2-1-3-14(13)11-19/h4-7,13-14,16H,1-3,8-11,18H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine has a molecular weight of 278.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 115561907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).