(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine

C12H16BrNO — CID 126675394

IUPAC(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
SMILESN[C@H]1CCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12H,1-3,8,14H2/t11-,12?/m0/s1
InChIKeySLROJNVWJKFMLY-PXYINDEMSA-N
MW270.17 g/mol
LogP2.85
Rot. Bonds3

About (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine

(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine (PubChem CID 126675394) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
PubChem CID126675394
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine
SMILESN[C@H]1CCCC1OCc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12H,1-3,8,14H2/t11-,12?/m0/s1
InChIKeySLROJNVWJKFMLY-PXYINDEMSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-aminocyclopentyl)oxymethyl]phenyl]methanol
CID 106938944
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
1-bromo-4-[(2-iodocyclohexyl)oxymethyl]benzene
CID 114774857
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
CID 54376655
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
[4-[[(1R,2R)-2-aminocyclohexyl]oxymethyl]phenyl]-(4-chlorophenyl)methanone;hydrochloride
CID 70122902
2-[(2-bromophenyl)methoxy]cycloheptan-1-amine
CID 82831822
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine?
The IUPAC name of (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine (CID 126675394) is (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine is N[C@H]1CCCC1OCc1ccc(Br)cc1.
What is the InChIKey of (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine?
The InChIKey is SLROJNVWJKFMLY-PXYINDEMSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(12)14/h4-7,11-12H,1-3,8,14H2/t11-,12?/m0/s1.
What are the key properties of (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine?
(1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(4-bromophenyl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 126675394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).