2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide

C13H19ClN2O2 — CID 54984073

IUPAC2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)16-13(17)9(3)18-12-5-4-10(7-15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyLAAPLWXMBWRQQZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide

2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide (PubChem CID 54984073) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
PubChem CID54984073
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)16-13(17)9(3)18-12-5-4-10(7-15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyLAAPLWXMBWRQQZ-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide (CID 54984073) is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(CN)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is LAAPLWXMBWRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)16-13(17)9(3)18-12-5-4-10(7-15)6-11(12)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide?
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 54984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).