2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide

C16H27N3O — CID 61489756

IUPAC2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-5-13(2)18-16(20)12-19(3)11-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyCJBMTFOFHJFRIA-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.88
Rot. Bonds8

About 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide

2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide (PubChem CID 61489756) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
PubChem CID61489756
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-5-13(2)18-16(20)12-19(3)11-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20)
InChIKeyCJBMTFOFHJFRIA-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
CID 94897707
2-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide (CID 61489756) is 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide?
The InChIKey is CJBMTFOFHJFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-13(2)18-16(20)12-19(3)11-15-8-6-14(10-17)7-9-15/h6-9,13H,4-5,10-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide?
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide has a molecular weight of 277.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61489756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).