3-phenylmethoxycyclopentane-1,2-diamine

C12H18N2O — CID 163363678

IUPAC3-phenylmethoxycyclopentane-1,2-diamine
SMILESNC1CCC(OCc2ccccc2)C1N
InChIInChI=1S/C12H18N2O/c13-10-6-7-11(12(10)14)15-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13-14H2
InChIKeyYNYMIKLBTSWLSP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.02
Rot. Bonds3

About 3-phenylmethoxycyclopentane-1,2-diamine

3-phenylmethoxycyclopentane-1,2-diamine (PubChem CID 163363678) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-phenylmethoxycyclopentane-1,2-diamine.

Molecular Properties

Compound Name3-phenylmethoxycyclopentane-1,2-diamine
PubChem CID163363678
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-phenylmethoxycyclopentane-1,2-diamine
SMILESNC1CCC(OCc2ccccc2)C1N
InChIInChI=1S/C12H18N2O/c13-10-6-7-11(12(10)14)15-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13-14H2
InChIKeyYNYMIKLBTSWLSP-UHFFFAOYSA-N
XLogP1.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
CID 178083267
1-methyl-4-phenylmethoxypyrrolidin-3-amine
CID 126645177
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclopentane-1,2-diamine?
The IUPAC name of 3-phenylmethoxycyclopentane-1,2-diamine (CID 163363678) is 3-phenylmethoxycyclopentane-1,2-diamine.
What is the SMILES notation for 3-phenylmethoxycyclopentane-1,2-diamine?
The canonical SMILES for 3-phenylmethoxycyclopentane-1,2-diamine is NC1CCC(OCc2ccccc2)C1N.
What is the InChIKey of 3-phenylmethoxycyclopentane-1,2-diamine?
The InChIKey is YNYMIKLBTSWLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-6-7-11(12(10)14)15-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13-14H2.
What are the key properties of 3-phenylmethoxycyclopentane-1,2-diamine?
3-phenylmethoxycyclopentane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclopentane-1,2-diamine is sourced from PubChem (CID 163363678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).