2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

C18H22IN — CID 43124751

IUPAC2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCC(C)Cc1ccc(C(C)Nc2ccccc2I)cc1
InChIInChI=1S/C18H22IN/c1-13(2)12-15-8-10-16(11-9-15)14(3)20-18-7-5-4-6-17(18)19/h4-11,13-14,20H,12H2,1-3H3
InChIKeyDHUDWBYJDWNXAS-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.66
Rot. Bonds5

About 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline

2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (PubChem CID 43124751) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
PubChem CID43124751
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Name2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
SMILESCC(C)Cc1ccc(C(C)Nc2ccccc2I)cc1
InChIInChI=1S/C18H22IN/c1-13(2)12-15-8-10-16(11-9-15)14(3)20-18-7-5-4-6-17(18)19/h4-11,13-14,20H,12H2,1-3H3
InChIKeyDHUDWBYJDWNXAS-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.66
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

N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43100358
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The IUPAC name of 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline (CID 43124751) is 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline.
What is the SMILES notation for 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The canonical SMILES for 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is CC(C)Cc1ccc(C(C)Nc2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
The InChIKey is DHUDWBYJDWNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-13(2)12-15-8-10-16(11-9-15)14(3)20-18-7-5-4-6-17(18)19/h4-11,13-14,20H,12H2,1-3H3.
What are the key properties of 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline?
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline has a molecular weight of 379.29 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43124751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).