N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide

C16H24N2O — CID 83146456

IUPACN-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(c1ccc(CN)cc1)C(C)C)C1CC1
InChIInChI=1S/C16H24N2O/c1-11(2)18(16(19)12(3)14-6-7-14)15-8-4-13(10-17)5-9-15/h4-5,8-9,11-12,14H,6-7,10,17H2,1-3H3
InChIKeyNLJKUXAYXTUWDJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide

N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide (PubChem CID 83146456) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
PubChem CID83146456
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(c1ccc(CN)cc1)C(C)C)C1CC1
InChIInChI=1S/C16H24N2O/c1-11(2)18(16(19)12(3)14-6-7-14)15-8-4-13(10-17)5-9-15/h4-5,8-9,11-12,14H,6-7,10,17H2,1-3H3
InChIKeyNLJKUXAYXTUWDJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797625
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
CID 113474877

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide (CID 83146456) is N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide is CC(C(=O)N(c1ccc(CN)cc1)C(C)C)C1CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide?
The InChIKey is NLJKUXAYXTUWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)18(16(19)12(3)14-6-7-14)15-8-4-13(10-17)5-9-15/h4-5,8-9,11-12,14H,6-7,10,17H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide?
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 83146456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).