N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine

C13H18INO — CID 104584402

IUPACN-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C13H18INO/c1-9(10-3-5-11(14)6-4-10)15-12-7-13(8-12)16-2/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyMYIWVXSRVPMXBA-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.12
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine

N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 104584402) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID104584402
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC NameN-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C13H18INO/c1-9(10-3-5-11(14)6-4-10)15-12-7-13(8-12)16-2/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyMYIWVXSRVPMXBA-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.12
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

3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine (CID 104584402) is N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2ccc(I)cc2)C1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is MYIWVXSRVPMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-9(10-3-5-11(14)6-4-10)15-12-7-13(8-12)16-2/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 331.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104584402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).