cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine

C14H22N2O — CID 124745453

IUPACcis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
SMILESCOc1ccc([C@H](C)N[C@H]2CCC[C@H]2N)cc1
InChIInChI=1S/C14H22N2O/c1-10(16-14-5-3-4-13(14)15)11-6-8-12(17-2)9-7-11/h6-10,13-14,16H,3-5,15H2,1-2H3/t10-,13+,14-/m0/s1
InChIKeyGFXBIRRVJPEUAA-GDLCADMTSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

About cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine

cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine (PubChem CID 124745453) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
PubChem CID124745453
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Namecis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
SMILESCOc1ccc([C@H](C)N[C@H]2CCC[C@H]2N)cc1
InChIInChI=1S/C14H22N2O/c1-10(16-14-5-3-4-13(14)15)11-6-8-12(17-2)9-7-11/h6-10,13-14,16H,3-5,15H2,1-2H3/t10-,13+,14-/m0/s1
InChIKeyGFXBIRRVJPEUAA-GDLCADMTSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
N-[1-(4-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195066
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine (CID 124745453) is cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine is COc1ccc([C@H](C)N[C@H]2CCC[C@H]2N)cc1.
What is the InChIKey of cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine?
The InChIKey is GFXBIRRVJPEUAA-GDLCADMTSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(16-14-5-3-4-13(14)15)11-6-8-12(17-2)9-7-11/h6-10,13-14,16H,3-5,15H2,1-2H3/t10-,13+,14-/m0/s1.
What are the key properties of cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine?
cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 124745453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).