1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine

C18H29NO — CID 66323254

IUPAC1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
SMILESCC(C)(C)c1ccc(C(N)COCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20-12-14-6-4-5-7-14/h8-11,14,17H,4-7,12-13,19H2,1-3H3
InChIKeySADDIEBMGZHBDV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine

1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine (PubChem CID 66323254) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
PubChem CID66323254
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
SMILESCC(C)(C)c1ccc(C(N)COCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20-12-14-6-4-5-7-14/h8-11,14,17H,4-7,12-13,19H2,1-3H3
InChIKeySADDIEBMGZHBDV-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
2-[2-amino-2-(4-tert-butylphenyl)ethoxy]acetamide
CID 61329935

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine (CID 66323254) is 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine is CC(C)(C)c1ccc(C(N)COCC2CCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine?
The InChIKey is SADDIEBMGZHBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)16-10-8-15(9-11-16)17(19)13-20-12-14-6-4-5-7-14/h8-11,14,17H,4-7,12-13,19H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine?
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine is sourced from PubChem (CID 66323254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).