1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine

C15H22IN — CID 142817012

IUPAC1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1I
InChIInChI=1S/C15H22IN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3
InChIKeyQDSDGLMGDCOZNW-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine

1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine (PubChem CID 142817012) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
PubChem CID142817012
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1I
InChIInChI=1S/C15H22IN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3
InChIKeyQDSDGLMGDCOZNW-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.27
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

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
4-[(cyclobutylmethylamino)methyl]benzene-1,2-diol
CID 43298488
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine (CID 142817012) is 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCCCC2)cc1I.
What is the InChIKey of 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine?
The InChIKey is QDSDGLMGDCOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine?
1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine has a molecular weight of 343.25 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 142817012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).