N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine

C15H24N2 — CID 105346444

IUPACN-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13(11-16-2)15-7-5-14(6-8-15)12-17-9-3-4-10-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyJEEFOVDTSUPPKL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine (PubChem CID 105346444) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
PubChem CID105346444
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13(11-16-2)15-7-5-14(6-8-15)12-17-9-3-4-10-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyJEEFOVDTSUPPKL-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347648
2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347946
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
3-[4-(pyrrolidin-1-ylmethyl)phenyl]butanal
CID 117334946
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
CID 117368922
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
2-methyl-1-(2-phenylpropyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111343113
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine (CID 105346444) is N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine is CNCC(C)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
The InChIKey is JEEFOVDTSUPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(11-16-2)15-7-5-14(6-8-15)12-17-9-3-4-10-17/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine?
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105346444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).