[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H23ClN2 — CID 119918135

IUPAC[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(C(C)N2CCC(CN)C2)c1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-4-3-5-14(8-11)12(2)16-7-6-13(9-15)10-16;/h3-5,8,12-13H,6-7,9-10,15H2,1-2H3;1H
InChIKeyUBLTUENDMOAINJ-UHFFFAOYSA-N
MW254.81 g/mol
LogP2.76
Rot. Bonds3

About [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119918135) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119918135
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1cccc(C(C)N2CCC(CN)C2)c1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-11-4-3-5-14(8-11)12(2)16-7-6-13(9-15)10-16;/h3-5,8,12-13H,6-7,9-10,15H2,1-2H3;1H
InChIKeyUBLTUENDMOAINJ-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 62068815
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119918135) is [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cc1cccc(C(C)N2CCC(CN)C2)c1.Cl.
What is the InChIKey of [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is UBLTUENDMOAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-11-4-3-5-14(8-11)12(2)16-7-6-13(9-15)10-16;/h3-5,8,12-13H,6-7,9-10,15H2,1-2H3;1H.
What are the key properties of [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 254.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119918135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).