N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide

C14H22BrNO2 — CID 75531449

IUPACN-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
SMILESBr.COc1cccc(CNC2CCCC2)c1OC
InChIInChI=1S/C14H21NO2.BrH/c1-16-13-9-5-6-11(14(13)17-2)10-15-12-7-3-4-8-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H
InChIKeyUTXYHNOKQVVRDO-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.31
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide

N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide (PubChem CID 75531449) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
PubChem CID75531449
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
SMILESBr.COc1cccc(CNC2CCCC2)c1OC
InChIInChI=1S/C14H21NO2.BrH/c1-16-13-9-5-6-11(14(13)17-2)10-15-12-7-3-4-8-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H
InChIKeyUTXYHNOKQVVRDO-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide (CID 75531449) is N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide is Br.COc1cccc(CNC2CCCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide?
The InChIKey is UTXYHNOKQVVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.BrH/c1-16-13-9-5-6-11(14(13)17-2)10-15-12-7-3-4-8-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide?
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide has a molecular weight of 316.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide is sourced from PubChem (CID 75531449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).