cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine

C11H14BrNO — CID 67193636

IUPACcis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c12-8-4-6-9(7-5-8)14-11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2/t10-,11+/m0/s1
InChIKeyYNHOCLDRNYFRON-WDEREUQCSA-N
MW256.14 g/mol
LogP2.71
Rot. Bonds2

About cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine

cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine (PubChem CID 67193636) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
PubChem CID67193636
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Namecis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c12-8-4-6-9(7-5-8)14-11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2/t10-,11+/m0/s1
InChIKeyYNHOCLDRNYFRON-WDEREUQCSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine
CID 86653041
1-bromo-4-cyclopentyloxybenzene
CID 22599958
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
CID 126675394
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
1-bromo-4-cyclopropyloxybenzene
CID 50998694
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
CID 43104678
2-(4-pyridin-2-ylphenoxy)cyclopentan-1-amine
CID 117051665

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine (CID 67193636) is cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine is N[C@H]1CCC[C@H]1Oc1ccc(Br)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine?
The InChIKey is YNHOCLDRNYFRON-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-8-4-6-9(7-5-8)14-11-3-1-2-10(11)13/h4-7,10-11H,1-3,13H2/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine?
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine has a molecular weight of 256.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 67193636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).