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

C18H28N2 — CID 71916218

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)11-15(2)19-12-16-9-10-20(13-16)18-7-8-18/h3-6,15-16,18-19H,7-13H2,1-2H3
InChIKeyQGBWPOXQNBJZAK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.00
Rot. Bonds6

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

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 71916218) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID71916218
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)11-15(2)19-12-16-9-10-20(13-16)18-7-8-18/h3-6,15-16,18-19H,7-13H2,1-2H3
InChIKeyQGBWPOXQNBJZAK-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
1-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 60856973
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-methylphenyl)propan-2-amine
CID 97103634
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 71916218) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is QGBWPOXQNBJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-3-4-6-17(14)11-15(2)19-12-16-9-10-20(13-16)18-7-8-18/h3-6,15-16,18-19H,7-13H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 71916218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).