2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide

C18H22FN3O — CID 174275986

IUPAC2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide
SMILESCC(NC(N)c1ccc(CCc2ccccc2F)cc1)C(N)=O
InChIInChI=1S/C18H22FN3O/c1-12(18(21)23)22-17(20)15-10-7-13(8-11-15)6-9-14-4-2-3-5-16(14)19/h2-5,7-8,10-12,17,22H,6,9,20H2,1H3,(H2,21,23)
InChIKeyRBXGTPGSIOHOCE-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.03
Rot. Bonds7

About 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide

2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide (PubChem CID 174275986) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide.

Molecular Properties

Compound Name2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide
PubChem CID174275986
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide
SMILESCC(NC(N)c1ccc(CCc2ccccc2F)cc1)C(N)=O
InChIInChI=1S/C18H22FN3O/c1-12(18(21)23)22-17(20)15-10-7-13(8-11-15)6-9-14-4-2-3-5-16(14)19/h2-5,7-8,10-12,17,22H,6,9,20H2,1H3,(H2,21,23)
InChIKeyRBXGTPGSIOHOCE-UHFFFAOYSA-N
XLogP2.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-diphenylpropylamino)propanamide
CID 70078545
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
CID 86225524
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
CID 151795763
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
2-(2-fluorophenyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7936631

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide?
The IUPAC name of 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide (CID 174275986) is 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide.
What is the SMILES notation for 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide?
The canonical SMILES for 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide is CC(NC(N)c1ccc(CCc2ccccc2F)cc1)C(N)=O.
What is the InChIKey of 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide?
The InChIKey is RBXGTPGSIOHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12(18(21)23)22-17(20)15-10-7-13(8-11-15)6-9-14-4-2-3-5-16(14)19/h2-5,7-8,10-12,17,22H,6,9,20H2,1H3,(H2,21,23).
What are the key properties of 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide?
2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide has a molecular weight of 315.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide is sourced from PubChem (CID 174275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).