N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline

C14H12F2INO — CID 28977429

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
SMILESFC(F)Oc1ccc(CNc2cccc(I)c2)cc1
InChIInChI=1S/C14H12F2INO/c15-14(16)19-13-6-4-10(5-7-13)9-18-12-3-1-2-11(17)8-12/h1-8,14,18H,9H2
InChIKeyNINQWDDHTWGVIH-UHFFFAOYSA-N
MW375.16 g/mol
LogP4.50
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline

N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline (PubChem CID 28977429) has the molecular formula C14H12F2INO and a molecular weight of 375.16 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
PubChem CID28977429
Molecular FormulaC14H12F2INO
Molecular Weight375.16 g/mol
Exact Mass374.99
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
SMILESFC(F)Oc1ccc(CNc2cccc(I)c2)cc1
InChIInChI=1S/C14H12F2INO/c15-14(16)19-13-6-4-10(5-7-13)9-18-12-3-1-2-11(17)8-12/h1-8,14,18H,9H2
InChIKeyNINQWDDHTWGVIH-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
CID 43733617
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
N-[(3,4-difluorophenyl)methyl]-3-iodoaniline
CID 28879228
3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline (CID 28977429) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline is FC(F)Oc1ccc(CNc2cccc(I)c2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline?
The InChIKey is NINQWDDHTWGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2INO/c15-14(16)19-13-6-4-10(5-7-13)9-18-12-3-1-2-11(17)8-12/h1-8,14,18H,9H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline has a molecular weight of 375.16 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline is sourced from PubChem (CID 28977429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).