N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine

C14H17Cl2N — CID 66026019

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2(CNC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N/c15-11-2-1-10(13(16)7-11)8-14(5-6-14)9-17-12-3-4-12/h1-2,7,12,17H,3-6,8-9H2
InChIKeyYAUQMLVFYSVATL-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.07
Rot. Bonds5

About N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine

N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine (PubChem CID 66026019) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
PubChem CID66026019
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2(CNC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N/c15-11-2-1-10(13(16)7-11)8-14(5-6-14)9-17-12-3-4-12/h1-2,7,12,17H,3-6,8-9H2
InChIKeyYAUQMLVFYSVATL-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
CID 66051088
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine (CID 66026019) is N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine is Clc1ccc(CC2(CNC3CC3)CC2)c(Cl)c1.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
The InChIKey is YAUQMLVFYSVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-11-2-1-10(13(16)7-11)8-14(5-6-14)9-17-12-3-4-12/h1-2,7,12,17H,3-6,8-9H2.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine?
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine has a molecular weight of 270.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 66026019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).