cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine

C13H19NO — CID 86659751

IUPACcis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](COCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2/t12-,13+/m0/s1
InChIKeyULXRNJRFDOVKQY-QWHCGFSZSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds4

About cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine

cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine (PubChem CID 86659751) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
PubChem CID86659751
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namecis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](COCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2/t12-,13+/m0/s1
InChIKeyULXRNJRFDOVKQY-QWHCGFSZSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
3-(phenylmethoxymethyl)cyclohexane-1-carbothioamide
CID 166694250
3-phenylmethoxycyclopentan-1-amine
CID 79421215
(3aS,6R,7aS)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 23254450
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine (CID 86659751) is cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine is N[C@@H]1CC[C@H](COCc2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine?
The InChIKey is ULXRNJRFDOVKQY-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO/c14-13-7-6-12(8-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2/t12-,13+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine?
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 86659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).