1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol

C15H23IN2O — CID 66095013

IUPAC1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccc(N)cc2I)CC1
InChIInChI=1S/C15H23IN2O/c1-2-11-5-7-15(19,8-6-11)10-18-14-4-3-12(17)9-13(14)16/h3-4,9,11,18-19H,2,5-8,10,17H2,1H3
InChIKeyPLOTVUGEMNVYKC-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.62
Rot. Bonds4

About 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol

1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 66095013) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID66095013
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccc(N)cc2I)CC1
InChIInChI=1S/C15H23IN2O/c1-2-11-5-7-15(19,8-6-11)10-18-14-4-3-12(17)9-13(14)16/h3-4,9,11,18-19H,2,5-8,10,17H2,1H3
InChIKeyPLOTVUGEMNVYKC-UHFFFAOYSA-N
XLogP3.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
CID 114755784
1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 104834643
1-[[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116944
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-methylbenzonitrile
CID 107931305
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80648199
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
1-[(2-iodo-4-nitroanilino)methyl]-4-methylcyclohexan-1-ol
CID 66095958
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842262
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol (CID 66095013) is 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2ccc(N)cc2I)CC1.
What is the InChIKey of 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is PLOTVUGEMNVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-2-11-5-7-15(19,8-6-11)10-18-14-4-3-12(17)9-13(14)16/h3-4,9,11,18-19H,2,5-8,10,17H2,1H3.
What are the key properties of 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol?
1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 374.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-iodoanilino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 66095013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).