1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C14H20INO — CID 103987071

IUPAC1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(I)cc1)CC1CCOC1
InChIInChI=1S/C14H20INO/c1-16-14(9-12-6-7-17-10-12)8-11-2-4-13(15)5-3-11/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGHSQEBFMVBHVAU-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103987071) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID103987071
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(I)cc1)CC1CCOC1
InChIInChI=1S/C14H20INO/c1-16-14(9-12-6-7-17-10-12)8-11-2-4-13(15)5-3-11/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGHSQEBFMVBHVAU-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.85
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-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 103987071) is 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1ccc(I)cc1)CC1CCOC1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is GHSQEBFMVBHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-16-14(9-12-6-7-17-10-12)8-11-2-4-13(15)5-3-11/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 345.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103987071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).