N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine

C18H28N2 — CID 79977325

IUPACN-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-13(2)19-12-17-10-11-20(3)18(17)16-8-6-15(7-9-16)14-4-5-14/h6-9,13-14,17-19H,4-5,10-12H2,1-3H3
InChIKeyWTNLVBVLXBBRFP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds5

About N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine

N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 79977325) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID79977325
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(C)C1c1ccc(C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-13(2)19-12-17-10-11-20(3)18(17)16-8-6-15(7-9-16)14-4-5-14/h6-9,13-14,17-19H,4-5,10-12H2,1-3H3
InChIKeyWTNLVBVLXBBRFP-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 115525468
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
2-methoxy-5-[1-methyl-3-[(propan-2-ylamino)methyl]pyrrolidin-2-yl]benzonitrile
CID 65336216
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 113329208
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-[[2-(4-bromo-2-nitrophenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 114385764
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
tert-butyl (3S)-3-[(1S)-1-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methylamino]ethyl]piperidine-1-carboxylate
CID 97341204
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine (CID 79977325) is N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(C)C1c1ccc(C2CC2)cc1.
What is the InChIKey of N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is WTNLVBVLXBBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)19-12-17-10-11-20(3)18(17)16-8-6-15(7-9-16)14-4-5-14/h6-9,13-14,17-19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine?
N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79977325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).