1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine

C15H22IN — CID 65477877

IUPAC1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-14(2)8-3-9-15(17,11-14)10-12-4-6-13(16)7-5-12/h4-7H,3,8-11,17H2,1-2H3
InChIKeyKKESLTWCPNFKMB-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.13
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine

1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 65477877) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID65477877
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC Name1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)(Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H22IN/c1-14(2)8-3-9-15(17,11-14)10-12-4-6-13(16)7-5-12/h4-7H,3,8-11,17H2,1-2H3
InChIKeyKKESLTWCPNFKMB-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.13
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-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 105403031
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 80705541
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699119
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65317057
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
CID 117397294
1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80693058
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65491516
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine (CID 65477877) is 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(N)(Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is KKESLTWCPNFKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-14(2)8-3-9-15(17,11-14)10-12-4-6-13(16)7-5-12/h4-7H,3,8-11,17H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine?
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 343.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65477877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).