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

C17H28N2 — CID 55081248

IUPAC2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCc1cccc(CN2CCC(CNCC(C)C)C2)c1
InChIInChI=1S/C17H28N2/c1-14(2)10-18-11-17-7-8-19(13-17)12-16-6-4-5-15(3)9-16/h4-6,9,14,17-18H,7-8,10-13H2,1-3H3
InChIKeyFSYZPDVQQBHTPF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.06
Rot. Bonds6

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

2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55081248) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55081248
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCc1cccc(CN2CCC(CNCC(C)C)C2)c1
InChIInChI=1S/C17H28N2/c1-14(2)10-18-11-17-7-8-19(13-17)12-16-6-4-5-15(3)9-16/h4-6,9,14,17-18H,7-8,10-13H2,1-3H3
InChIKeyFSYZPDVQQBHTPF-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579834
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 55081248) is 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is Cc1cccc(CN2CCC(CNCC(C)C)C2)c1.
What is the InChIKey of 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is FSYZPDVQQBHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)10-18-11-17-7-8-19(13-17)12-16-6-4-5-15(3)9-16/h4-6,9,14,17-18H,7-8,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55081248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).