4-(2-amino-1-phenylethyl)-2-iodoaniline

C14H15IN2 — CID 21125810

IUPAC4-(2-amino-1-phenylethyl)-2-iodoaniline
SMILESNCC(c1ccccc1)c1ccc(N)c(I)c1
InChIInChI=1S/C14H15IN2/c15-13-8-11(6-7-14(13)17)12(9-16)10-4-2-1-3-5-10/h1-8,12H,9,16-17H2
InChIKeyFTZGUVYONIXCTO-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.96
Rot. Bonds3

About 4-(2-amino-1-phenylethyl)-2-iodoaniline

4-(2-amino-1-phenylethyl)-2-iodoaniline (PubChem CID 21125810) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-(2-amino-1-phenylethyl)-2-iodoaniline.

Molecular Properties

Compound Name4-(2-amino-1-phenylethyl)-2-iodoaniline
PubChem CID21125810
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name4-(2-amino-1-phenylethyl)-2-iodoaniline
SMILESNCC(c1ccccc1)c1ccc(N)c(I)c1
InChIInChI=1S/C14H15IN2/c15-13-8-11(6-7-14(13)17)12(9-16)10-4-2-1-3-5-10/h1-8,12H,9,16-17H2
InChIKeyFTZGUVYONIXCTO-UHFFFAOYSA-N
XLogP2.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
2-phenyl-2-(4-phenylphenyl)ethanamine
CID 44719858
2-[4-(aminomethyl)phenyl]-2-phenylethanamine
CID 53429078
2-(3,5-dichlorophenyl)-2-phenylethanamine
CID 5170020
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
2-(4-amino-3-iodophenyl)propanal
CID 134639971
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
6-(2-amino-1-phenylethyl)-3H-1,3-benzoxazol-2-one
CID 82499590
2-iodo-4-phenyldiazenylaniline
CID 86147627
4-benzhydrylbenzene-1,2-diamine
CID 154281140
5-(2-amino-1-phenylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 82501887
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylethyl)-2-iodoaniline?
The IUPAC name of 4-(2-amino-1-phenylethyl)-2-iodoaniline (CID 21125810) is 4-(2-amino-1-phenylethyl)-2-iodoaniline.
What is the SMILES notation for 4-(2-amino-1-phenylethyl)-2-iodoaniline?
The canonical SMILES for 4-(2-amino-1-phenylethyl)-2-iodoaniline is NCC(c1ccccc1)c1ccc(N)c(I)c1.
What is the InChIKey of 4-(2-amino-1-phenylethyl)-2-iodoaniline?
The InChIKey is FTZGUVYONIXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c15-13-8-11(6-7-14(13)17)12(9-16)10-4-2-1-3-5-10/h1-8,12H,9,16-17H2.
What are the key properties of 4-(2-amino-1-phenylethyl)-2-iodoaniline?
4-(2-amino-1-phenylethyl)-2-iodoaniline has a molecular weight of 338.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylethyl)-2-iodoaniline is sourced from PubChem (CID 21125810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).