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

C14H22N2 — CID 84786356

IUPAC3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
SMILESCN1CCC(c2ccc(CCCN)cc2)C1
InChIInChI=1S/C14H22N2/c1-16-10-8-14(11-16)13-6-4-12(5-7-13)3-2-9-15/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyBETDTAXOXVJZBU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.00
Rot. Bonds4

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

3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine (PubChem CID 84786356) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
PubChem CID84786356
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
SMILESCN1CCC(c2ccc(CCCN)cc2)C1
InChIInChI=1S/C14H22N2/c1-16-10-8-14(11-16)13-6-4-12(5-7-13)3-2-9-15/h4-7,14H,2-3,8-11,15H2,1H3
InChIKeyBETDTAXOXVJZBU-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
3-(4-butylphenyl)pyrrolidin-1-amine
CID 121406850
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
3-[4-(3-aminopropyl)phenyl]cyclopentan-1-ol
CID 115031605
2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
CID 116988406
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine (CID 84786356) is 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine is CN1CCC(c2ccc(CCCN)cc2)C1.
What is the InChIKey of 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
The InChIKey is BETDTAXOXVJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-10-8-14(11-16)13-6-4-12(5-7-13)3-2-9-15/h4-7,14H,2-3,8-11,15H2,1H3.
What are the key properties of 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine?
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 84786356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).