4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride

C16H24BrClN2O2 — CID 120936516

IUPAC4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1Br)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-12(10-13-4-2-3-5-14(13)17)19-15(20)16(11-18)6-8-21-9-7-16;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyMLMODXXYRKZVMA-UHFFFAOYSA-N
MW391.74 g/mol
LogP2.67
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120936516) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120936516
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC Name4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1Br)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-12(10-13-4-2-3-5-14(13)17)19-15(20)16(11-18)6-8-21-9-7-16;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H
InChIKeyMLMODXXYRKZVMA-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
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N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
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4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120927353
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride (CID 120936516) is 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride is CC(Cc1ccccc1Br)NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is MLMODXXYRKZVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-12(10-13-4-2-3-5-14(13)17)19-15(20)16(11-18)6-8-21-9-7-16;/h2-5,12H,6-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).