cycloheptyl-(2-iodophenyl)methanamine

C14H20IN — CID 105027819

IUPACcycloheptyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CCCCCC1
InChIInChI=1S/C14H20IN/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8,16H2
InChIKeyNSHSODPRMSALBO-UHFFFAOYSA-N
MW329.22 g/mol
LogP4.26
Rot. Bonds2

About cycloheptyl-(2-iodophenyl)methanamine

cycloheptyl-(2-iodophenyl)methanamine (PubChem CID 105027819) has the molecular formula C14H20IN and a molecular weight of 329.22 g/mol. Its IUPAC name is cycloheptyl-(2-iodophenyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(2-iodophenyl)methanamine
PubChem CID105027819
Molecular FormulaC14H20IN
Molecular Weight329.22 g/mol
Exact Mass329.06
IUPAC Namecycloheptyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CCCCCC1
InChIInChI=1S/C14H20IN/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8,16H2
InChIKeyNSHSODPRMSALBO-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.26
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

cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
cyclohexyl(phenyl)methanamine
CID 11064121
cyclobutyl-(2-iodophenyl)methanol
CID 115837930
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-iodophenyl)methanamine?
The IUPAC name of cycloheptyl-(2-iodophenyl)methanamine (CID 105027819) is cycloheptyl-(2-iodophenyl)methanamine.
What is the SMILES notation for cycloheptyl-(2-iodophenyl)methanamine?
The canonical SMILES for cycloheptyl-(2-iodophenyl)methanamine is NC(c1ccccc1I)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2-iodophenyl)methanamine?
The InChIKey is NSHSODPRMSALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8,16H2.
What are the key properties of cycloheptyl-(2-iodophenyl)methanamine?
cycloheptyl-(2-iodophenyl)methanamine has a molecular weight of 329.22 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-iodophenyl)methanamine is sourced from PubChem (CID 105027819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).