(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride

C13H19ClIN — CID 171230172

IUPAC(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(I)c1)C1CCCCC1
InChIInChI=1S/C13H18IN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m0./s1
InChIKeyFSFSBOXGZDNWIH-ZOWNYOTGSA-N
MW351.66 g/mol
LogP4.29
Rot. Bonds2

About (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride

(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride (PubChem CID 171230172) has the molecular formula C13H19ClIN and a molecular weight of 351.66 g/mol. Its IUPAC name is (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
PubChem CID171230172
Molecular FormulaC13H19ClIN
Molecular Weight351.66 g/mol
Exact Mass351.03
IUPAC Name(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(I)c1)C1CCCCC1
InChIInChI=1S/C13H18IN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m0./s1
InChIKeyFSFSBOXGZDNWIH-ZOWNYOTGSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.66
LogP ≤ 54.29
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

(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
3-[amino(cyclohexyl)methyl]phenol
CID 105457850
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
cyclohexyl(phenyl)methanamine
CID 11064121
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride (CID 171230172) is (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride is Cl.N[C@H](c1cccc(I)c1)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride?
The InChIKey is FSFSBOXGZDNWIH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H18IN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h4,7-10,13H,1-3,5-6,15H2;1H/t13-;/m0./s1.
What are the key properties of (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride?
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride has a molecular weight of 351.66 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171230172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).