N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine

C16H25NO — CID 114999821

IUPACN-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(12-17-15-8-9-15)18-11-10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyQOWBDNDBZFANQF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds8

About N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine

N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine (PubChem CID 114999821) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
PubChem CID114999821
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(12-17-15-8-9-15)18-11-10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyQOWBDNDBZFANQF-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-methyl-2-(2-phenylethoxy)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-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
CID 66226160
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine
CID 62583680
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
CID 113427443
N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445305
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
CID 115493372
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine (CID 114999821) is N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine is CC(C)C(CNC1CC1)OCCc1ccccc1.
What is the InChIKey of N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine?
The InChIKey is QOWBDNDBZFANQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16(12-17-15-8-9-15)18-11-10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3.
What are the key properties of N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine?
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine is sourced from PubChem (CID 114999821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).