N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine

C15H22ClN — CID 113404796

IUPACN-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Cl)cc2)CC1CC
InChIInChI=1S/C15H22ClN/c1-3-9-17-11-15(10-12(15)4-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyZMAIYXAYQNWVGS-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine

N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine (PubChem CID 113404796) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
PubChem CID113404796
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(Cl)cc2)CC1CC
InChIInChI=1S/C15H22ClN/c1-3-9-17-11-15(10-12(15)4-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyZMAIYXAYQNWVGS-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine (CID 113404796) is N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine is CCCNCC1(c2ccc(Cl)cc2)CC1CC.
What is the InChIKey of N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine?
The InChIKey is ZMAIYXAYQNWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-9-17-11-15(10-12(15)4-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine?
N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 113404796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).