N-[3-(2-propoxyphenyl)butyl]cyclopropanamine

C16H25NO — CID 113438607

IUPACN-[3-(2-propoxyphenyl)butyl]cyclopropanamine
SMILESCCCOc1ccccc1C(C)CCNC1CC1
InChIInChI=1S/C16H25NO/c1-3-12-18-16-7-5-4-6-15(16)13(2)10-11-17-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyVFGHUEUBZKGVST-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds8

About N-[3-(2-propoxyphenyl)butyl]cyclopropanamine

N-[3-(2-propoxyphenyl)butyl]cyclopropanamine (PubChem CID 113438607) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(2-propoxyphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-propoxyphenyl)butyl]cyclopropanamine
PubChem CID113438607
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(2-propoxyphenyl)butyl]cyclopropanamine
SMILESCCCOc1ccccc1C(C)CCNC1CC1
InChIInChI=1S/C16H25NO/c1-3-12-18-16-7-5-4-6-15(16)13(2)10-11-17-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyVFGHUEUBZKGVST-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze N-[3-(2-propoxyphenyl)butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
CID 104662486
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
CID 104663313
3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79643366
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
1-(2-propoxyphenyl)ethanol
CID 43503976
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propoxyphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2-propoxyphenyl)butyl]cyclopropanamine (CID 113438607) is N-[3-(2-propoxyphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-propoxyphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-propoxyphenyl)butyl]cyclopropanamine is CCCOc1ccccc1C(C)CCNC1CC1.
What is the InChIKey of N-[3-(2-propoxyphenyl)butyl]cyclopropanamine?
The InChIKey is VFGHUEUBZKGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-18-16-7-5-4-6-15(16)13(2)10-11-17-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3.
What are the key properties of N-[3-(2-propoxyphenyl)butyl]cyclopropanamine?
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propoxyphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 113438607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).