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

C16H25NO2 — CID 83229574

IUPACN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NOC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)18-15-10-8-14(9-11-15)13(3)17-19-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3
InChIKeyIZBASPNNSRAWNM-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.00
Rot. Bonds6

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

N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 83229574) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID83229574
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)NOC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)18-15-10-8-14(9-11-15)13(3)17-19-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3
InChIKeyIZBASPNNSRAWNM-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.00
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-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-cyclopentyloxy-1-(4-iodophenyl)ethanamine
CID 83229254
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-cyclopentyloxy-1-pyridin-4-ylethanamine
CID 83229742
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine (CID 83229574) is N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is IZBASPNNSRAWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)18-15-10-8-14(9-11-15)13(3)17-19-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine?
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.00, 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)ethanamine is sourced from PubChem (CID 83229574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).