N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine

C18H29NO — CID 63824975

IUPACN-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCOC2CCCC2)cc1C
InChIInChI=1S/C18H29NO/c1-13-11-15(3)18(12-14(13)2)16(4)19-9-10-20-17-7-5-6-8-17/h11-12,16-17,19H,5-10H2,1-4H3
InChIKeyOJRDHPDHYCDQDP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.22
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 63824975) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID63824975
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCOC2CCCC2)cc1C
InChIInChI=1S/C18H29NO/c1-13-11-15(3)18(12-14(13)2)16(4)19-9-10-20-17-7-5-6-8-17/h11-12,16-17,19H,5-10H2,1-4H3
InChIKeyOJRDHPDHYCDQDP-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924748
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 63824975) is N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCOC2CCCC2)cc1C.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is OJRDHPDHYCDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-11-15(3)18(12-14(13)2)16(4)19-9-10-20-17-7-5-6-8-17/h11-12,16-17,19H,5-10H2,1-4H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 63824975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).