3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine

C24H26IN — CID 68779176

IUPAC3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(c2ccc(I)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H26IN/c1-17(23-11-5-7-19-6-2-3-10-24(19)23)26-22-9-4-8-20(16-22)18-12-14-21(25)15-13-18/h2-3,5-7,10-15,17,20,22,26H,4,8-9,16H2,1H3
InChIKeyKBGNAFHNTSQKCN-UHFFFAOYSA-N
MW455.38 g/mol
LogP6.82
Rot. Bonds4

About 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine

3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine (PubChem CID 68779176) has the molecular formula C24H26IN and a molecular weight of 455.38 g/mol. Its IUPAC name is 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
PubChem CID68779176
Molecular FormulaC24H26IN
Molecular Weight455.38 g/mol
Exact Mass455.11
IUPAC Name3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(c2ccc(I)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H26IN/c1-17(23-11-5-7-19-6-2-3-10-24(19)23)26-22-9-4-8-20(16-22)18-12-14-21(25)15-13-18/h2-3,5-7,10-15,17,20,22,26H,4,8-9,16H2,1H3
InChIKeyKBGNAFHNTSQKCN-UHFFFAOYSA-N
XLogP6.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.38
LogP ≤ 56.82
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

[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
CID 59617302
4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide
CID 42623590
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
(3S)-3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 143807888
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
3-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclohexan-1-amine
CID 68781296

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine (CID 68779176) is 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine is CC(NC1CCCC(c2ccc(I)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine?
The InChIKey is KBGNAFHNTSQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26IN/c1-17(23-11-5-7-19-6-2-3-10-24(19)23)26-22-9-4-8-20(16-22)18-12-14-21(25)15-13-18/h2-3,5-7,10-15,17,20,22,26H,4,8-9,16H2,1H3.
What are the key properties of 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine?
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine has a molecular weight of 455.38 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 68779176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).