N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine

C17H28N2 — CID 60856073

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2CCN(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-4-5-15-6-8-17(9-7-15)14(2)18-12-16-10-11-19(3)13-16/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyYIYMKLKRYHNFFR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine

N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine (PubChem CID 60856073) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
PubChem CID60856073
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCC2CCN(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-4-5-15-6-8-17(9-7-15)14(2)18-12-16-10-11-19(3)13-16/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyYIYMKLKRYHNFFR-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60855240

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine (CID 60856073) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCC2CCN(C)C2)cc1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is YIYMKLKRYHNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-15-6-8-17(9-7-15)14(2)18-12-16-10-11-19(3)13-16/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 60856073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).