N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine

C14H22N2 — CID 115118684

IUPACN-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
SMILESCCCc1ccc(N(C)C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-3-4-12-5-7-13(8-6-12)16(2)14-9-10-15-11-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyBIWIDIXXKFFHFN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine

N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine (PubChem CID 115118684) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
PubChem CID115118684
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
SMILESCCCc1ccc(N(C)C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-3-4-12-5-7-13(8-6-12)16(2)14-9-10-15-11-14/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyBIWIDIXXKFFHFN-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
N-methyl-N-[2-(4-propylphenyl)ethyl]azetidin-3-amine
CID 117040771
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004
4-[methyl(piperidin-4-yl)amino]phenol
CID 67423174
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine (CID 115118684) is N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine is CCCc1ccc(N(C)C2CCNC2)cc1.
What is the InChIKey of N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine?
The InChIKey is BIWIDIXXKFFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-12-5-7-13(8-6-12)16(2)14-9-10-15-11-14/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine?
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115118684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).