N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine

C15H23NO2 — CID 83228810

IUPACN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNOC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)17-14-9-7-13(8-10-14)11-16-18-15-5-3-4-6-15/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyGSBIRQUGTXANPG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.44
Rot. Bonds6

About N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine

N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 83228810) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID83228810
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNOC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)17-14-9-7-13(8-10-14)11-16-18-15-5-3-4-6-15/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKeyGSBIRQUGTXANPG-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-cyclopentyloxy-1-(4-methylphenyl)methanamine
CID 83229470
4-[(cyclopentyloxyamino)methyl]phenol
CID 83229024
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
1-(4-cyclopentyloxyphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636414
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine (CID 83228810) is N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(CNOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is GSBIRQUGTXANPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)17-14-9-7-13(8-10-14)11-16-18-15-5-3-4-6-15/h7-10,12,15-16H,3-6,11H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine?
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 83228810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).