trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol

C12H15Cl2NO — CID 68674581

IUPACtrans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESNC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](O)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2/t9-,12+/m0/s1
InChIKeyACEHPFMVELBCNI-JOYOIKCWSA-N
MW260.16 g/mol
LogP2.73
Rot. Bonds2

About trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol

trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol (PubChem CID 68674581) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
PubChem CID68674581
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Nametrans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESNC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](O)C1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2/t9-,12+/m0/s1
InChIKeyACEHPFMVELBCNI-JOYOIKCWSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol (CID 68674581) is trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol is NC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The InChIKey is ACEHPFMVELBCNI-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-2-1-8(5-11(10)14)12(7-15)4-3-9(16)6-12/h1-2,5,9,16H,3-4,6-7,15H2/t9-,12+/m0/s1.
What are the key properties of trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol?
trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 68674581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).