3-iodo-N-(3-methoxybutan-2-yl)aniline

C11H16INO — CID 115928309

IUPAC3-iodo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-8(9(2)14-3)13-11-6-4-5-10(12)7-11/h4-9,13H,1-3H3
InChIKeyHALQKZLXGRYYMP-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.13
Rot. Bonds4

About 3-iodo-N-(3-methoxybutan-2-yl)aniline

3-iodo-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115928309) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-iodo-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name3-iodo-N-(3-methoxybutan-2-yl)aniline
PubChem CID115928309
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name3-iodo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1cccc(I)c1
InChIInChI=1S/C11H16INO/c1-8(9(2)14-3)13-11-6-4-5-10(12)7-11/h4-9,13H,1-3H3
InChIKeyHALQKZLXGRYYMP-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.13
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-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
methyl N-[3-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 113353843
N-but-3-en-2-yl-3-iodoaniline
CID 107906518
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
3-fluoro-4-methoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917448
3-iodo-N-methylaniline
CID 11075306
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
CID 107597295
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297532

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 3-iodo-N-(3-methoxybutan-2-yl)aniline (CID 115928309) is 3-iodo-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 3-iodo-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 3-iodo-N-(3-methoxybutan-2-yl)aniline is COC(C)C(C)Nc1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is HALQKZLXGRYYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-8(9(2)14-3)13-11-6-4-5-10(12)7-11/h4-9,13H,1-3H3.
What are the key properties of 3-iodo-N-(3-methoxybutan-2-yl)aniline?
3-iodo-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 305.16 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).