N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

C13H20N2 — CID 22081058

IUPACN-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-2-14-11-12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyJPBBHGMPVDOOMG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 22081058) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID22081058
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-2-14-11-12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyJPBBHGMPVDOOMG-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777709
N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
CID 43398950
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977464
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
CID 81103568
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 22081058) is N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is CCNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is JPBBHGMPVDOOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-14-11-12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 22081058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).