N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine

C16H25NO — CID 81019318

IUPACN-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
SMILESCC(C)Oc1ccc(C(C)CCNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-8-4-14(5-9-16)13(3)10-11-17-15-6-7-15/h4-5,8-9,12-13,15,17H,6-7,10-11H2,1-3H3
InChIKeyXQWXYCLPHLQVSK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds7

About N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine

N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine (PubChem CID 81019318) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
PubChem CID81019318
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
SMILESCC(C)Oc1ccc(C(C)CCNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-8-4-14(5-9-16)13(3)10-11-17-15-6-7-15/h4-5,8-9,12-13,15,17H,6-7,10-11H2,1-3H3
InChIKeyXQWXYCLPHLQVSK-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine (CID 81019318) is N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine is CC(C)Oc1ccc(C(C)CCNC2CC2)cc1.
What is the InChIKey of N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine?
The InChIKey is XQWXYCLPHLQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)18-16-8-4-14(5-9-16)13(3)10-11-17-15-6-7-15/h4-5,8-9,12-13,15,17H,6-7,10-11H2,1-3H3.
What are the key properties of N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine?
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 81019318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).