trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine

C20H25NO — CID 67573261

IUPACtrans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-21-20-9-5-8-18(20)14-16-10-12-19(13-11-16)22-15-17-6-3-2-4-7-17/h2-4,6-7,10-13,18,20-21H,5,8-9,14-15H2,1H3/t18-,20-/m0/s1
InChIKeyOUAGNICLCAOANE-ICSRJNTNSA-N
MW295.43 g/mol
LogP4.20
Rot. Bonds6

About trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine

trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 67573261) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID67573261
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Nametrans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
SMILESCN[C@H]1CCC[C@H]1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-21-20-9-5-8-18(20)14-16-10-12-19(13-11-16)22-15-17-6-3-2-4-7-17/h2-4,6-7,10-13,18,20-21H,5,8-9,14-15H2,1H3/t18-,20-/m0/s1
InChIKeyOUAGNICLCAOANE-ICSRJNTNSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine (CID 67573261) is trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine is CN[C@H]1CCC[C@H]1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is OUAGNICLCAOANE-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H25NO/c1-21-20-9-5-8-18(20)14-16-10-12-19(13-11-16)22-15-17-6-3-2-4-7-17/h2-4,6-7,10-13,18,20-21H,5,8-9,14-15H2,1H3/t18-,20-/m0/s1.
What are the key properties of trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine?
trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 67573261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).