2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine

C16H26N2O — CID 112512800

IUPAC2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(C)COc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-19-15-7-5-14(6-8-15)16(11-17)18-9-3-4-10-18/h5-8,13,16H,3-4,9-12,17H2,1-2H3
InChIKeyACPJQCLAMUKITN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine

2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 112512800) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
PubChem CID112512800
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
SMILESCC(C)COc1ccc(C(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-19-15-7-5-14(6-8-15)16(11-17)18-9-3-4-10-18/h5-8,13,16H,3-4,9-12,17H2,1-2H3
InChIKeyACPJQCLAMUKITN-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
CID 112500967
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83936988
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine (CID 112512800) is 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine is CC(C)COc1ccc(C(CN)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is ACPJQCLAMUKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-19-15-7-5-14(6-8-15)16(11-17)18-9-3-4-10-18/h5-8,13,16H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine?
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 112512800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).