N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine

C18H22IN — CID 63451569

IUPACN-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(NCC(C)(C)c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-14(15-9-11-17(19)12-10-15)20-13-18(2,3)16-7-5-4-6-8-16/h4-12,14,20H,13H2,1-3H3
InChIKeyLHNOJWKVZKRFPF-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.92
Rot. Bonds5

About N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine

N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 63451569) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID63451569
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(NCC(C)(C)c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-14(15-9-11-17(19)12-10-15)20-13-18(2,3)16-7-5-4-6-8-16/h4-12,14,20H,13H2,1-3H3
InChIKeyLHNOJWKVZKRFPF-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.92
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

2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726027
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
CID 43769130
N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 54886572
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
CID 63451971
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine (CID 63451569) is N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine is CC(NCC(C)(C)c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is LHNOJWKVZKRFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-14(15-9-11-17(19)12-10-15)20-13-18(2,3)16-7-5-4-6-8-16/h4-12,14,20H,13H2,1-3H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine?
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 379.29 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 63451569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).