N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine

C15H23NO — CID 62454096

IUPACN-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
SMILESCc1ccc(C)c(OCCCCNC2CC2)c1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)15(11-12)17-10-4-3-9-16-14-7-8-14/h5-6,11,14,16H,3-4,7-10H2,1-2H3
InChIKeyRFUWCEWGWOAWNO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds7

About N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine

N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine (PubChem CID 62454096) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
PubChem CID62454096
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
SMILESCc1ccc(C)c(OCCCCNC2CC2)c1
InChIInChI=1S/C15H23NO/c1-12-5-6-13(2)15(11-12)17-10-4-3-9-16-14-7-8-14/h5-6,11,14,16H,3-4,7-10H2,1-2H3
InChIKeyRFUWCEWGWOAWNO-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
CID 62598188
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
CID 45097626
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine (CID 62454096) is N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine is Cc1ccc(C)c(OCCCCNC2CC2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine?
The InChIKey is RFUWCEWGWOAWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-6-13(2)15(11-12)17-10-4-3-9-16-14-7-8-14/h5-6,11,14,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine?
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62454096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).