2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C16H24N2O2 — CID 114948949

IUPAC2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O2/c1-18(12-16(20)8-4-5-9-16)15(19)10-13-6-2-3-7-14(13)11-17/h2-3,6-7,20H,4-5,8-12,17H2,1H3
InChIKeyUIXPKFIESJEVAI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 114948949) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID114948949
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O2/c1-18(12-16(20)8-4-5-9-16)15(19)10-13-6-2-3-7-14(13)11-17/h2-3,6-7,20H,4-5,8-12,17H2,1H3
InChIKeyUIXPKFIESJEVAI-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 114948949) is 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is UIXPKFIESJEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-16(20)8-4-5-9-16)15(19)10-13-6-2-3-7-14(13)11-17/h2-3,6-7,20H,4-5,8-12,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 114948949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).