2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide

C15H24N2O — CID 63588884

IUPAC2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(CN)cc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-9-17(12(2)3)15(18)10-13-5-7-14(11-16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyJXFBDFPJCMQDNI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide

2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide (PubChem CID 63588884) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
PubChem CID63588884
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(CN)cc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-9-17(12(2)3)15(18)10-13-5-7-14(11-16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyJXFBDFPJCMQDNI-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 77001388
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
CID 43583126
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 77000859
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572893
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 77000861

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide (CID 63588884) is 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)Cc1ccc(CN)cc1)C(C)C.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide?
The InChIKey is JXFBDFPJCMQDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-9-17(12(2)3)15(18)10-13-5-7-14(11-16)8-6-13/h5-8,12H,4,9-11,16H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide?
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 63588884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).