N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine

C12H15ClIN — CID 65489354

IUPACN-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
SMILESClCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C12H15ClIN/c13-7-8-15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2
InChIKeyAPNAYFSVPCNSFG-UHFFFAOYSA-N
MW335.62 g/mol
LogP3.49
Rot. Bonds5

About N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine (PubChem CID 65489354) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
PubChem CID65489354
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC NameN-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
SMILESClCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C12H15ClIN/c13-7-8-15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2
InChIKeyAPNAYFSVPCNSFG-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
4-[[2-chloroethyl(cyclobutyl)amino]methyl]phenol
CID 102861348
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine;hydrochloride
CID 138398765
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine (CID 65489354) is N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine is ClCCN(Cc1ccc(I)cc1)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine?
The InChIKey is APNAYFSVPCNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c13-7-8-15(12-5-6-12)9-10-1-3-11(14)4-2-10/h1-4,12H,5-9H2.
What are the key properties of N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine has a molecular weight of 335.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 65489354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).