N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine

C15H23NO — CID 82262595

IUPACN-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
SMILESCC(Cc1ccc(OC(C)C)cc1)NC1CC1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-4-13(5-9-15)10-12(3)16-14-6-7-14/h4-5,8-9,11-12,14,16H,6-7,10H2,1-3H3
InChIKeyGJSQOKYARHYEGC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds6

About N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine

N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine (PubChem CID 82262595) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
PubChem CID82262595
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
SMILESCC(Cc1ccc(OC(C)C)cc1)NC1CC1
InChIInChI=1S/C15H23NO/c1-11(2)17-15-8-4-13(5-9-15)10-12(3)16-14-6-7-14/h4-5,8-9,11-12,14,16H,6-7,10H2,1-3H3
InChIKeyGJSQOKYARHYEGC-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine (CID 82262595) is N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine is CC(Cc1ccc(OC(C)C)cc1)NC1CC1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine?
The InChIKey is GJSQOKYARHYEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)17-15-8-4-13(5-9-15)10-12(3)16-14-6-7-14/h4-5,8-9,11-12,14,16H,6-7,10H2,1-3H3.
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine?
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine is sourced from PubChem (CID 82262595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).