N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide

C14H21BrN2O2 — CID 119569073

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-16)17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyTXAXKAHAGGGUKL-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide (PubChem CID 119569073) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
PubChem CID119569073
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
SMILESCCC(CC)(CN)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-16)17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyTXAXKAHAGGGUKL-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(4-chlorophenoxy)acetamide
CID 107868236
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide (CID 119569073) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide is CCC(CC)(CN)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide?
The InChIKey is TXAXKAHAGGGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-16)17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 119569073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).