N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

C15H22ClN — CID 55083879

IUPACN-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CC1C
InChIInChI=1S/C15H22ClN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyQDVVVBSHHBJJJG-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 55083879) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID55083879
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CC1C
InChIInChI=1S/C15H22ClN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyQDVVVBSHHBJJJG-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61065705
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 65421078

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (CID 55083879) is N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1CC1C.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is QDVVVBSHHBJJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-7-17-15(14-8-11(14)2)10-12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 55083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).