1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine

C14H17Cl2N — CID 60788913

IUPAC1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
SMILESClc1cc(Cl)cc(CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H17Cl2N/c15-12-5-9(6-13(16)7-12)8-17-14(10-1-2-10)11-3-4-11/h5-7,10-11,14,17H,1-4,8H2
InChIKeyHLJGDKHNVXVUEO-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.27
Rot. Bonds5

About 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine (PubChem CID 60788913) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
PubChem CID60788913
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
SMILESClc1cc(Cl)cc(CNC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H17Cl2N/c15-12-5-9(6-13(16)7-12)8-17-14(10-1-2-10)11-3-4-11/h5-7,10-11,14,17H,1-4,8H2
InChIKeyHLJGDKHNVXVUEO-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine (CID 60788913) is 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine is Clc1cc(Cl)cc(CNC(C2CC2)C2CC2)c1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
The InChIKey is HLJGDKHNVXVUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-12-5-9(6-13(16)7-12)8-17-14(10-1-2-10)11-3-4-11/h5-7,10-11,14,17H,1-4,8H2.
What are the key properties of 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine has a molecular weight of 270.20 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 60788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).