N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine

C17H27NO — CID 62454395

IUPACN-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(OCCCCNC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-6-10-16(11-7-14)19-13-5-4-12-18-15-8-9-15/h6-7,10-11,15,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyLGPIONFPLDQGJK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds7

About N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine

N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine (PubChem CID 62454395) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
PubChem CID62454395
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(OCCCCNC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-6-10-16(11-7-14)19-13-5-4-12-18-15-8-9-15/h6-7,10-11,15,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyLGPIONFPLDQGJK-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
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-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
N-[4-(4-methylphenoxy)butyl]cyclopentanamine
CID 2948932
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
CID 62451843
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
N-[4-(4-fluorophenoxy)butyl]-1-methylpiperidin-4-amine
CID 67622919
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine (CID 62454395) is N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine is CC(C)(C)c1ccc(OCCCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine?
The InChIKey is LGPIONFPLDQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)14-6-10-16(11-7-14)19-13-5-4-12-18-15-8-9-15/h6-7,10-11,15,18H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine?
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62454395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).