N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide

C15H24N2O2 — CID 103017375

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(13-7-5-12(10-16)6-8-13)17-14(18)9-15(2,3)19-4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyFTBQTABVBWBGTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide (PubChem CID 103017375) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
PubChem CID103017375
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(13-7-5-12(10-16)6-8-13)17-14(18)9-15(2,3)19-4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyFTBQTABVBWBGTO-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide (CID 103017375) is N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC(C)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide?
The InChIKey is FTBQTABVBWBGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(13-7-5-12(10-16)6-8-13)17-14(18)9-15(2,3)19-4/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).