trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine

C14H21NO — CID 130295385

IUPACtrans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine
SMILESCOCCC1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-16-8-7-11-9-13(14(15)10-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11?,13-,14+/m0/s1
InChIKeyZQGDACWFMPCERG-SBKAZOPESA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds4

About trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine

trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine (PubChem CID 130295385) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine
PubChem CID130295385
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine
SMILESCOCCC1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-16-8-7-11-9-13(14(15)10-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11?,13-,14+/m0/s1
InChIKeyZQGDACWFMPCERG-SBKAZOPESA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
CID 104562065
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
1-(2-methoxyethyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 149331751
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
CID 75994277
CID 75994277
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120749123

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine (CID 130295385) is trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine is COCCC1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine?
The InChIKey is ZQGDACWFMPCERG-SBKAZOPESA-N. The full InChI is InChI=1S/C14H21NO/c1-16-8-7-11-9-13(14(15)10-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3/t11?,13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine?
trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentan-1-amine is sourced from PubChem (CID 130295385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).