2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide

C14H22FN3O — CID 64769835

IUPAC2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(N)cc1F
InChIInChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(16)7-13(11)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeySVRRHECQOUVIMP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.75
Rot. Bonds6

About 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 64769835) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID64769835
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(N)cc1F
InChIInChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(16)7-13(11)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeySVRRHECQOUVIMP-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54941727
3-bromo-4-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 102767285
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
4-[[ethyl(prop-2-ynyl)amino]methyl]-3-fluoroaniline
CID 107796737
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
CID 103101438
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 64769835) is 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1ccc(N)cc1F.
What is the InChIKey of 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is SVRRHECQOUVIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(16)7-13(11)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 64769835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).