(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine

C18H16INO — CID 43150760

IUPAC(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C18H16INO/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11,18H,20H2,1H3
InChIKeySBRXEELQXSMCFH-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.50
Rot. Bonds3

About (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine

(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 43150760) has the molecular formula C18H16INO and a molecular weight of 389.24 g/mol. Its IUPAC name is (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID43150760
Molecular FormulaC18H16INO
Molecular Weight389.24 g/mol
Exact Mass389.03
IUPAC Name(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)cc2)c2ccccc12
InChIInChI=1S/C18H16INO/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11,18H,20H2,1H3
InChIKeySBRXEELQXSMCFH-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
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-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150768
(5-iodothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 79685763
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
(2,5-dichlorothiophen-3-yl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107960554
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine (CID 43150760) is (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)c2ccc(I)cc2)c2ccccc12.
What is the InChIKey of (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is SBRXEELQXSMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11,18H,20H2,1H3.
What are the key properties of (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine?
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 389.24 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 43150760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).