1-chloropentane;2-iodo-4-methoxyaniline

C12H19ClINO — CID 175283221

IUPAC1-chloropentane;2-iodo-4-methoxyaniline
SMILESCCCCCCl.COc1ccc(N)c(I)c1
InChIInChI=1S/C7H8INO.C5H11Cl/c1-10-5-2-3-7(9)6(8)4-5;1-2-3-4-5-6/h2-4H,9H2,1H3;2-5H2,1H3
InChIKeyQTBNPYXDEJKMIX-UHFFFAOYSA-N
MW355.65 g/mol
LogP4.30
Rot. Bonds4

About 1-chloropentane;2-iodo-4-methoxyaniline

1-chloropentane;2-iodo-4-methoxyaniline (PubChem CID 175283221) has the molecular formula C12H19ClINO and a molecular weight of 355.65 g/mol. Its IUPAC name is 1-chloropentane;2-iodo-4-methoxyaniline.

Molecular Properties

Compound Name1-chloropentane;2-iodo-4-methoxyaniline
PubChem CID175283221
Molecular FormulaC12H19ClINO
Molecular Weight355.65 g/mol
Exact Mass355.02
IUPAC Name1-chloropentane;2-iodo-4-methoxyaniline
SMILESCCCCCCl.COc1ccc(N)c(I)c1
InChIInChI=1S/C7H8INO.C5H11Cl/c1-10-5-2-3-7(9)6(8)4-5;1-2-3-4-5-6/h2-4H,9H2,1H3;2-5H2,1H3
InChIKeyQTBNPYXDEJKMIX-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

anisole;1-chloropentane
CID 174500344
5-methoxy-2-nonoxyaniline
CID 43128995
2-iodo-5-methoxyaniline
CID 11139508
4-(3-chloropropoxy)-2-methoxyaniline
CID 144945776
4-heptoxybenzene-1,2-diamine
CID 54795786
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
2-fluoro-4-methoxyaniline
CID 3756383
pentyl 4-amino-3-iodobenzoate
CID 44829102
2-methoxy-5-octoxyaniline
CID 103201140
1-methoxy-4-tetradecoxybenzene
CID 91712423
3-chloro-1-(2-iodo-5-methoxyphenyl)propan-1-one
CID 134638580
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-iodo-4-methoxyaniline?
The IUPAC name of 1-chloropentane;2-iodo-4-methoxyaniline (CID 175283221) is 1-chloropentane;2-iodo-4-methoxyaniline.
What is the SMILES notation for 1-chloropentane;2-iodo-4-methoxyaniline?
The canonical SMILES for 1-chloropentane;2-iodo-4-methoxyaniline is CCCCCCl.COc1ccc(N)c(I)c1.
What is the InChIKey of 1-chloropentane;2-iodo-4-methoxyaniline?
The InChIKey is QTBNPYXDEJKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO.C5H11Cl/c1-10-5-2-3-7(9)6(8)4-5;1-2-3-4-5-6/h2-4H,9H2,1H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;2-iodo-4-methoxyaniline?
1-chloropentane;2-iodo-4-methoxyaniline has a molecular weight of 355.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-iodo-4-methoxyaniline is sourced from PubChem (CID 175283221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).