N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine

C16H15ClINO — CID 114856120

IUPACN-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2ccc(I)cc2)c(CNC2CC2)c1
InChIInChI=1S/C16H15ClINO/c17-12-1-8-16(11(9-12)10-19-14-4-5-14)20-15-6-2-13(18)3-7-15/h1-3,6-9,14,19H,4-5,10H2
InChIKeySGGCTFCBIOTXBN-UHFFFAOYSA-N
MW399.66 g/mol
LogP4.99
Rot. Bonds5

About N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114856120) has the molecular formula C16H15ClINO and a molecular weight of 399.66 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID114856120
Molecular FormulaC16H15ClINO
Molecular Weight399.66 g/mol
Exact Mass398.99
IUPAC NameN-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2ccc(I)cc2)c(CNC2CC2)c1
InChIInChI=1S/C16H15ClINO/c17-12-1-8-16(11(9-12)10-19-14-4-5-14)20-15-6-2-13(18)3-7-15/h1-3,6-9,14,19H,4-5,10H2
InChIKeySGGCTFCBIOTXBN-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.99
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

N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
CID 114856939
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114856111
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine (CID 114856120) is N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(Oc2ccc(I)cc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is SGGCTFCBIOTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO/c17-12-1-8-16(11(9-12)10-19-14-4-5-14)20-15-6-2-13(18)3-7-15/h1-3,6-9,14,19H,4-5,10H2.
What are the key properties of N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 399.66 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114856120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).