1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C17H28N2 — CID 106637049

IUPAC1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13(19-12-16-6-5-11-18-16)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,5-6,11-12H2,1-4H3
InChIKeyRCFAKCCCYYFCHR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106637049) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106637049
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13(19-12-16-6-5-11-18-16)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,5-6,11-12H2,1-4H3
InChIKeyRCFAKCCCYYFCHR-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
1-(4-tert-butylphenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81043492
1-(4-chlorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637240

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106637049) is 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is CC(NCC1CCCN1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is RCFAKCCCYYFCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(19-12-16-6-5-11-18-16)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106637049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).