N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine

C18H21FIN — CID 65489511

IUPACN-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(I)cc1)Cc1ccccc1F
InChIInChI=1S/C18H21FIN/c1-2-21-13-15(11-14-7-9-17(20)10-8-14)12-16-5-3-4-6-18(16)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNEBIOZQGLPGHEL-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.44
Rot. Bonds7

About N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine

N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine (PubChem CID 65489511) has the molecular formula C18H21FIN and a molecular weight of 397.28 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
PubChem CID65489511
Molecular FormulaC18H21FIN
Molecular Weight397.28 g/mol
Exact Mass397.07
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(I)cc1)Cc1ccccc1F
InChIInChI=1S/C18H21FIN/c1-2-21-13-15(11-14-7-9-17(20)10-8-14)12-16-5-3-4-6-18(16)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNEBIOZQGLPGHEL-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine (CID 65489511) is N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine is CCNCC(Cc1ccc(I)cc1)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The InChIKey is NEBIOZQGLPGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FIN/c1-2-21-13-15(11-14-7-9-17(20)10-8-14)12-16-5-3-4-6-18(16)19/h3-10,15,21H,2,11-13H2,1H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine has a molecular weight of 397.28 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine is sourced from PubChem (CID 65489511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).