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

C16H25NO — CID 83229349

IUPACN-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NOC2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)17-18-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3
InChIKeyZNHDUFWKLLPGKV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.33
Rot. Bonds5

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

N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 83229349) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID83229349
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NOC2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)17-18-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3
InChIKeyZNHDUFWKLLPGKV-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-1-(4-iodophenyl)ethanamine
CID 83229254
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
N-cyclopentyloxy-1-pyridin-4-ylethanamine
CID 83229742
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine (CID 83229349) is N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZNHDUFWKLLPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)17-18-16-6-4-5-7-16/h8-13,16-17H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine?
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 83229349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).