N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H18F3IN2 — CID 43785266

IUPACN-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(I)ccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3IN2/c1-10-8-11(18)2-3-13(10)19-12-4-6-20(7-5-12)9-14(15,16)17/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyCCFCDTXTOHDPJT-UHFFFAOYSA-N
MW398.21 g/mol
LogP4.04
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43785266) has the molecular formula C14H18F3IN2 and a molecular weight of 398.21 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43785266
Molecular FormulaC14H18F3IN2
Molecular Weight398.21 g/mol
Exact Mass398.05
IUPAC NameN-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1cc(I)ccc1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3IN2/c1-10-8-11(18)2-3-13(10)19-12-4-6-20(7-5-12)9-14(15,16)17/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyCCFCDTXTOHDPJT-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(4-iodo-2-methylphenyl)thian-4-amine
CID 43717183
N-(4-bromo-2,5-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107609894
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
CID 103561331
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43785266) is N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1cc(I)ccc1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is CCFCDTXTOHDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3IN2/c1-10-8-11(18)2-3-13(10)19-12-4-6-20(7-5-12)9-14(15,16)17/h2-3,8,12,19H,4-7,9H2,1H3.
What are the key properties of N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 398.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43785266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).