N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine

C17H27NO — CID 83044881

IUPACN-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C17H27NO/c1-5-6-16(11-18-15-7-8-15)19-17-10-12(2)9-13(3)14(17)4/h9-10,15-16,18H,5-8,11H2,1-4H3
InChIKeyRCXOMDAMPNCDDY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine

N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine (PubChem CID 83044881) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
PubChem CID83044881
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C17H27NO/c1-5-6-16(11-18-15-7-8-15)19-17-10-12(2)9-13(3)14(17)4/h9-10,15-16,18H,5-8,11H2,1-4H3
InChIKeyRCXOMDAMPNCDDY-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-[2-(5-chloro-2-methylphenoxy)pentyl]cyclopropanamine
CID 83045481
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
CID 83044892
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
N-[2-[(6-methyl-3-pyridinyl)oxy]pentyl]cyclopropanamine
CID 83044254
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789
N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine
CID 116793651
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine (CID 83044881) is N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1cc(C)cc(C)c1C.
What is the InChIKey of N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine?
The InChIKey is RCXOMDAMPNCDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-16(11-18-15-7-8-15)19-17-10-12(2)9-13(3)14(17)4/h9-10,15-16,18H,5-8,11H2,1-4H3.
What are the key properties of N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine?
N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 83044881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).