trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine

C13H20N2O — CID 57481680

IUPACtrans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
SMILESN[C@@H]1CC(COCc2ccccc2)C[C@H]1N
InChIInChI=1S/C13H20N2O/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t12-,13-/m1/s1
InChIKeyKNARSWOEUBOMRJ-CHWSQXEVSA-N
MW220.32 g/mol
LogP1.27
Rot. Bonds4

About trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine

trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine (PubChem CID 57481680) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
PubChem CID57481680
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nametrans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
SMILESN[C@@H]1CC(COCc2ccccc2)C[C@H]1N
InChIInChI=1S/C13H20N2O/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t12-,13-/m1/s1
InChIKeyKNARSWOEUBOMRJ-CHWSQXEVSA-N
XLogP1.27
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine (CID 57481680) is trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine is N[C@@H]1CC(COCc2ccccc2)C[C@H]1N.
What is the InChIKey of trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine?
The InChIKey is KNARSWOEUBOMRJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2O/c14-12-6-11(7-13(12)15)9-16-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine?
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 57481680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).