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

C14H17Cl2N — CID 114095565

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
SMILESClc1cc(Cl)cc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H17Cl2N/c15-12-5-10(6-13(16)7-12)8-17-9-14(3-4-14)11-1-2-11/h5-7,11,17H,1-4,8-9H2
InChIKeyWJOYAFPLEYHXIL-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.27
Rot. Bonds5

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

N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine (PubChem CID 114095565) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
PubChem CID114095565
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
SMILESClc1cc(Cl)cc(CNCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H17Cl2N/c15-12-5-10(6-13(16)7-12)8-17-9-14(3-4-14)11-1-2-11/h5-7,11,17H,1-4,8-9H2
InChIKeyWJOYAFPLEYHXIL-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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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 113321743
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103838588
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 115757770
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 115757772
2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine (CID 114095565) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine is Clc1cc(Cl)cc(CNCC2(C3CC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine?
The InChIKey is WJOYAFPLEYHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-12-5-10(6-13(16)7-12)8-17-9-14(3-4-14)11-1-2-11/h5-7,11,17H,1-4,8-9H2.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)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 N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 114095565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).