N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide

C14H22N2O2 — CID 103017349

IUPACN-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-4)9-13(17)16(3)12-7-5-11(10-15)6-8-12/h5-8H,9-10,15H2,1-4H3
InChIKeyOSOBGRAELBTWAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.92
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide

N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103017349) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
PubChem CID103017349
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-4)9-13(17)16(3)12-7-5-11(10-15)6-8-12/h5-8H,9-10,15H2,1-4H3
InChIKeyOSOBGRAELBTWAD-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
CID 103017375
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103017682
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide (CID 103017349) is N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is OSOBGRAELBTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,18-4)9-13(17)16(3)12-7-5-11(10-15)6-8-12/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide?
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103017349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).