trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide

C12H18BrNO — CID 18681682

IUPACtrans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
SMILESBr.N[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO.BrH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H/t11-,12-;/m1./s1
InChIKeyJMDNVXJAAHJZMS-MNMPKAIFSA-N
MW272.19 g/mol
LogP2.66
Rot. Bonds3

About trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide

trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide (PubChem CID 18681682) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
PubChem CID18681682
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Nametrans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
SMILESBr.N[C@@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H17NO.BrH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H/t11-,12-;/m1./s1
InChIKeyJMDNVXJAAHJZMS-MNMPKAIFSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
CID 54376655
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330
[4-[(2-aminocyclopentyl)oxymethyl]phenyl]methanol
CID 106938944
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide?
The IUPAC name of trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide (CID 18681682) is trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide.
What is the SMILES notation for trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide?
The canonical SMILES for trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide is Br.N[C@@H]1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide?
The InChIKey is JMDNVXJAAHJZMS-MNMPKAIFSA-N. The full InChI is InChI=1S/C12H17NO.BrH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H/t11-,12-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide?
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide has a molecular weight of 272.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide is sourced from PubChem (CID 18681682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).