N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide

C16H23BrN2O2 — CID 119611217

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCCCC1CN
InChIInChI=1S/C16H23BrN2O2/c1-11(21-15-9-5-3-7-13(15)17)16(20)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyIFBIWNVUTPOTJQ-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.85
Rot. Bonds5

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

N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide (PubChem CID 119611217) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
PubChem CID119611217
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCCCC1CN
InChIInChI=1S/C16H23BrN2O2/c1-11(21-15-9-5-3-7-13(15)17)16(20)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyIFBIWNVUTPOTJQ-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 111118280
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
N-[2-(aminomethyl)cyclopentyl]-2-(2-fluorophenoxy)butanamide
CID 119605380

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide (CID 119611217) is N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide is CC(Oc1ccccc1Br)C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide?
The InChIKey is IFBIWNVUTPOTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(21-15-9-5-3-7-13(15)17)16(20)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide?
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide has a molecular weight of 355.28 g/mol, XLogP of 2.85, 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-(2-bromophenoxy)propanamide is sourced from PubChem (CID 119611217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).