1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C17H29N3O — CID 63164252

IUPAC1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)Oc1ccc(C(N)CN2CCC(N(C)C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)21-16-7-5-14(6-8-16)17(18)12-20-10-9-15(11-20)19(3)4/h5-8,13,15,17H,9-12,18H2,1-4H3
InChIKeySUTMGMCQTDFCMP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63164252) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63164252
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)Oc1ccc(C(N)CN2CCC(N(C)C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)21-16-7-5-14(6-8-16)17(18)12-20-10-9-15(11-20)19(3)4/h5-8,13,15,17H,9-12,18H2,1-4H3
InChIKeySUTMGMCQTDFCMP-UHFFFAOYSA-N
XLogP2.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
1-(4-aminophenoxy)-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 63166051

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63164252) is 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CC(C)Oc1ccc(C(N)CN2CCC(N(C)C)C2)cc1.
What is the InChIKey of 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is SUTMGMCQTDFCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)21-16-7-5-14(6-8-16)17(18)12-20-10-9-15(11-20)19(3)4/h5-8,13,15,17H,9-12,18H2,1-4H3.
What are the key properties of 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63164252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).