N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride

C16H24BrClN2O2 — CID 119612248

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H
InChIKeyGJRKFOPQMLWSEP-UHFFFAOYSA-N
MW391.74 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride (PubChem CID 119612248) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
PubChem CID119612248
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H
InChIKeyGJRKFOPQMLWSEP-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
CID 119575701
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794
N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119610739
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride (CID 119612248) is N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride is CC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride?
The InChIKey is GJRKFOPQMLWSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-11(21-14-8-6-13(17)7-9-14)16(20)19-15-5-3-2-4-12(15)10-18;/h6-9,11-12,15H,2-5,10,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119612248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).