N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide

C16H26N2O — CID 54939690

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
SMILESCCC(CC)C(=O)N(CC)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O/c1-4-13(5-2)16(19)18(6-3)12-15-10-8-7-9-14(15)11-17/h7-10,13H,4-6,11-12,17H2,1-3H3
InChIKeyXKPCAMVHIPOOLA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.93
Rot. Bonds7

About N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide

N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide (PubChem CID 54939690) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
PubChem CID54939690
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
SMILESCCC(CC)C(=O)N(CC)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O/c1-4-13(5-2)16(19)18(6-3)12-15-10-8-7-9-14(15)11-17/h7-10,13H,4-6,11-12,17H2,1-3H3
InChIKeyXKPCAMVHIPOOLA-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
CID 113374706
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468194
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide (CID 54939690) is N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide is CCC(CC)C(=O)N(CC)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide?
The InChIKey is XKPCAMVHIPOOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13(5-2)16(19)18(6-3)12-15-10-8-7-9-14(15)11-17/h7-10,13H,4-6,11-12,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide?
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide is sourced from PubChem (CID 54939690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).