4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

C17H27ClN2O2 — CID 120909762

IUPAC4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc(OCC3CCCO3)cc2)CC1N.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13-9-19(11-17(13)18)10-14-4-6-15(7-5-14)21-12-16-3-2-8-20-16;/h4-7,13,16-17H,2-3,8-12,18H2,1H3;1H
InChIKeyGRKYYIGDDPVOGR-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.45
Rot. Bonds5

About 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909762) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909762
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc(OCC3CCCO3)cc2)CC1N.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13-9-19(11-17(13)18)10-14-4-6-15(7-5-14)21-12-16-3-2-8-20-16;/h4-7,13,16-17H,2-3,8-12,18H2,1H3;1H
InChIKeyGRKYYIGDDPVOGR-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
2-[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728663
3-[4-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856534
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
(3R)-5-oxo-1-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 94032967
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
5,5-diethyl-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazolidine-2,4-dione
CID 97253201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120909762) is 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is CC1CN(Cc2ccc(OCC3CCCO3)cc2)CC1N.Cl.
What is the InChIKey of 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is GRKYYIGDDPVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13-9-19(11-17(13)18)10-14-4-6-15(7-5-14)21-12-16-3-2-8-20-16;/h4-7,13,16-17H,2-3,8-12,18H2,1H3;1H.
What are the key properties of 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).