1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

C17H29ClN2 — CID 119905772

IUPAC1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(C(C)c2ccc(C(C)(C)C)cc2)C1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-13(19-11-10-16(12-19)18-5)14-6-8-15(9-7-14)17(2,3)4;/h6-9,13,16,18H,10-12H2,1-5H3;1H
InChIKeyXHFKBICLPMODFO-UHFFFAOYSA-N
MW296.89 g/mol
LogP3.76
Rot. Bonds3

About 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119905772) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119905772
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(C(C)c2ccc(C(C)(C)C)cc2)C1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-13(19-11-10-16(12-19)18-5)14-6-8-15(9-7-14)17(2,3)4;/h6-9,13,16,18H,10-12H2,1-5H3;1H
InChIKeyXHFKBICLPMODFO-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
1-[1-(4-tert-butylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119908451
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919002
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
4-[1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 65067070

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119905772) is 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(C(C)c2ccc(C(C)(C)C)cc2)C1.Cl.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is XHFKBICLPMODFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-13(19-11-10-16(12-19)18-5)14-6-8-15(9-7-14)17(2,3)4;/h6-9,13,16,18H,10-12H2,1-5H3;1H.
What are the key properties of 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).