2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

C18H30N2 — CID 79749802

IUPAC2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1ccccc1CCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-15-7-5-6-8-17(15)10-12-20-11-9-16(14-20)13-19-18(2,3)4/h5-8,16,19H,9-14H2,1-4H3
InChIKeyATCUILSGYNCONB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 79749802) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID79749802
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1ccccc1CCN1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-15-7-5-6-8-17(15)10-12-20-11-9-16(14-20)13-19-18(2,3)4/h5-8,16,19H,9-14H2,1-4H3
InChIKeyATCUILSGYNCONB-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 79749734
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 80689417
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512965
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591476
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
CID 79755831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 79749802) is 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is Cc1ccccc1CCN1CCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is ATCUILSGYNCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-7-5-6-8-17(15)10-12-20-11-9-16(14-20)13-19-18(2,3)4/h5-8,16,19H,9-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79749802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).