2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine

C15H24N2 — CID 116988406

IUPAC2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-3-12(10-16)13-4-6-14(7-5-13)15-8-9-17(2)11-15/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyPFZUIGRGOUJQOZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine

2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine (PubChem CID 116988406) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
PubChem CID116988406
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1ccc(C2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-3-12(10-16)13-4-6-14(7-5-13)15-8-9-17(2)11-15/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyPFZUIGRGOUJQOZ-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413
1-[4-(1-methylpiperidin-4-yl)phenyl]ethanol
CID 58103926
1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
CID 142172122
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
CID 116988194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine?
The IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine (CID 116988406) is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine is CCC(CN)c1ccc(C2CCN(C)C2)cc1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine?
The InChIKey is PFZUIGRGOUJQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12(10-16)13-4-6-14(7-5-13)15-8-9-17(2)11-15/h4-7,12,15H,3,8-11,16H2,1-2H3.
What are the key properties of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine?
2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine is sourced from PubChem (CID 116988406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).