1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine

C16H18IN — CID 43765203

IUPAC1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H18IN/c1-12-3-5-14(6-4-12)11-18-13(2)15-7-9-16(17)10-8-15/h3-10,13,18H,11H2,1-2H3
InChIKeyCCJICVPBCQBCSH-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine

1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 43765203) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID43765203
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H18IN/c1-12-3-5-14(6-4-12)11-18-13(2)15-7-9-16(17)10-8-15/h3-10,13,18H,11H2,1-2H3
InChIKeyCCJICVPBCQBCSH-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1R)-1-(4-methylphenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437947
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
1-[4-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine (CID 43765203) is 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is CCJICVPBCQBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-12-3-5-14(6-4-12)11-18-13(2)15-7-9-16(17)10-8-15/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 351.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43765203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).