(3-iodo-4-phenylmethoxyphenyl)methanamine

C14H14INO — CID 169488711

IUPAC(3-iodo-4-phenylmethoxyphenyl)methanamine
SMILESNCc1ccc(OCc2ccccc2)c(I)c1
InChIInChI=1S/C14H14INO/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8H,9-10,16H2
InChIKeyBFTFOYMICPAFDX-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.33
Rot. Bonds4

About (3-iodo-4-phenylmethoxyphenyl)methanamine

(3-iodo-4-phenylmethoxyphenyl)methanamine (PubChem CID 169488711) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is (3-iodo-4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-iodo-4-phenylmethoxyphenyl)methanamine
PubChem CID169488711
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name(3-iodo-4-phenylmethoxyphenyl)methanamine
SMILESNCc1ccc(OCc2ccccc2)c(I)c1
InChIInChI=1S/C14H14INO/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8H,9-10,16H2
InChIKeyBFTFOYMICPAFDX-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.33
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

3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
CID 73333847
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
[3-(2-chloro-5-fluorophenyl)-4-phenylmethoxyphenyl]methanamine
CID 172653869
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461

Frequently Asked Questions

What is the IUPAC name of (3-iodo-4-phenylmethoxyphenyl)methanamine?
The IUPAC name of (3-iodo-4-phenylmethoxyphenyl)methanamine (CID 169488711) is (3-iodo-4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (3-iodo-4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (3-iodo-4-phenylmethoxyphenyl)methanamine is NCc1ccc(OCc2ccccc2)c(I)c1.
What is the InChIKey of (3-iodo-4-phenylmethoxyphenyl)methanamine?
The InChIKey is BFTFOYMICPAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8H,9-10,16H2.
What are the key properties of (3-iodo-4-phenylmethoxyphenyl)methanamine?
(3-iodo-4-phenylmethoxyphenyl)methanamine has a molecular weight of 339.18 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 169488711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).