N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

C15H21ClFN — CID 106797913

IUPACN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-3-9-18-11(2)15(7-8-15)10-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyXUMOYSXOZFJYEC-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds6

About N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106797913) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106797913
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-3-9-18-11(2)15(7-8-15)10-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyXUMOYSXOZFJYEC-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol
CID 106798054
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
CID 106798541
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106797913) is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is XUMOYSXOZFJYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-9-18-11(2)15(7-8-15)10-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3.
What are the key properties of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106797913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).