trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine

C13H19NO — CID 58216107

IUPACtrans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO/c1-14-12-8-5-9-13(12)15-10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyLTSATPCKWBBILV-CHWSQXEVSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds4

About trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine

trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine (PubChem CID 58216107) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
PubChem CID58216107
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nametrans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO/c1-14-12-8-5-9-13(12)15-10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3/t12-,13-/m1/s1
InChIKeyLTSATPCKWBBILV-CHWSQXEVSA-N
XLogP2.34
TPSA21.26 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
N-methyl-2-(4-phenylmethoxyphenoxy)cyclopentan-1-amine;hydrochloride
CID 18969696
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
N-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 102633086
N-methyl-2-(thiophen-3-ylmethoxy)cyclohexan-1-amine
CID 102633085
3-[[2-(methylamino)cyclohexyl]oxymethyl]benzonitrile
CID 102633171
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine (CID 58216107) is trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine is CN[C@@H]1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine?
The InChIKey is LTSATPCKWBBILV-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-12-8-5-9-13(12)15-10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine?
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine is sourced from PubChem (CID 58216107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).