N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine

C16H24ClNO — CID 79438020

IUPACN-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)19-10-9-14(11-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyOXTJCKVZUYDXCC-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.99
Rot. Bonds8

About N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine

N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine (PubChem CID 79438020) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
PubChem CID79438020
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)19-10-9-14(11-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyOXTJCKVZUYDXCC-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(4-chlorophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730168
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-[2-(4-chlorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79431064
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine (CID 79438020) is N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine is CC(C)OCCC(CNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
The InChIKey is OXTJCKVZUYDXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)19-10-9-14(11-18-16-7-8-16)13-3-5-15(17)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine?
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine is sourced from PubChem (CID 79438020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).