trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine

C12H16ClNO — CID 126644466

IUPACtrans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1OCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(12)14/h1,3-4,7,11-12H,2,5-6,8,14H2/t11-,12-/m0/s1
InChIKeyUVSACZBEUQGYAU-RYUDHWBXSA-N
MW225.72 g/mol
LogP2.74
Rot. Bonds3

About trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine

trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine (PubChem CID 126644466) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
PubChem CID126644466
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Nametrans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1OCc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(12)14/h1,3-4,7,11-12H,2,5-6,8,14H2/t11-,12-/m0/s1
InChIKeyUVSACZBEUQGYAU-RYUDHWBXSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
CID 178083267
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394
[4-[(2-aminocyclopentyl)oxymethyl]phenyl]methanol
CID 106938944
2-(2-aminocyclopentyl)oxy-N-(3-chlorophenyl)acetamide
CID 113395271
3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
CID 66367482
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine (CID 126644466) is trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine is N[C@H]1CCC[C@@H]1OCc1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine?
The InChIKey is UVSACZBEUQGYAU-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-10-4-1-3-9(7-10)8-15-12-6-2-5-11(12)14/h1,3-4,7,11-12H,2,5-6,8,14H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine?
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 126644466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).