2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide

C15H21FN2O — CID 65229876

IUPAC2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c1-2-11(9-17)15(19)18(13-7-8-13)10-12-5-3-4-6-14(12)16/h3-6,11,13H,2,7-10,17H2,1H3
InChIKeyZLBMHBGKFUNYPQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 65229876) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID65229876
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCC(CN)C(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c1-2-11(9-17)15(19)18(13-7-8-13)10-12-5-3-4-6-14(12)16/h3-6,11,13H,2,7-10,17H2,1H3
InChIKeyZLBMHBGKFUNYPQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 65230216
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (CID 65229876) is 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is CCC(CN)C(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is ZLBMHBGKFUNYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-11(9-17)15(19)18(13-7-8-13)10-12-5-3-4-6-14(12)16/h3-6,11,13H,2,7-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 65229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).