N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine

C18H29NO — CID 115493372

IUPACN-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCCCCc1ccc(OC(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-5-6-15-7-11-17(12-8-15)20-18(14(2)3)13-19-16-9-10-16/h7-8,11-12,14,16,18-19H,4-6,9-10,13H2,1-3H3
InChIKeyDUALPSVBALFPRT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds9

About N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 115493372) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID115493372
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCCCCc1ccc(OC(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-5-6-15-7-11-17(12-8-15)20-18(14(2)3)13-19-16-9-10-16/h7-8,11-12,14,16,18-19H,4-6,9-10,13H2,1-3H3
InChIKeyDUALPSVBALFPRT-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
methyl 2-(4-butylphenoxy)-2-cyclopropylacetate
CID 113322628
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine (CID 115493372) is N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine is CCCCc1ccc(OC(CNC2CC2)C(C)C)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is DUALPSVBALFPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-6-15-7-11-17(12-8-15)20-18(14(2)3)13-19-16-9-10-16/h7-8,11-12,14,16,18-19H,4-6,9-10,13H2,1-3H3.
What are the key properties of N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 115493372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).