(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine

C16H15ClINO — CID 103216448

IUPAC(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO/c17-14-9-11(4-7-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2
InChIKeyZAPOBWTWTQQFMS-UHFFFAOYSA-N
MW399.66 g/mol
LogP4.53
Rot. Bonds4

About (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine

(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine (PubChem CID 103216448) has the molecular formula C16H15ClINO and a molecular weight of 399.66 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
PubChem CID103216448
Molecular FormulaC16H15ClINO
Molecular Weight399.66 g/mol
Exact Mass398.99
IUPAC Name(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO/c17-14-9-11(4-7-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2
InChIKeyZAPOBWTWTQQFMS-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.53
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-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
CID 114521727
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053
[(4-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]hydrazine
CID 105192579

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine (CID 103216448) is (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine is NC(c1cccc(OC2CC2)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine?
The InChIKey is ZAPOBWTWTQQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO/c17-14-9-11(4-7-15(14)18)16(19)10-2-1-3-13(8-10)20-12-5-6-12/h1-4,7-9,12,16H,5-6,19H2.
What are the key properties of (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine?
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine has a molecular weight of 399.66 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine is sourced from PubChem (CID 103216448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).