N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine

C16H26N2 — CID 60856064

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CCN(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-7-16(15-8-5-4-6-9-15)17-12-14-10-11-18(2)13-14/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyVDVHZWVJBMWZNX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine

N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 60856064) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
PubChem CID60856064
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CCN(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-3-7-16(15-8-5-4-6-9-15)17-12-14-10-11-18(2)13-14/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyVDVHZWVJBMWZNX-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82833707

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine (CID 60856064) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine is CCCC(NCC1CCN(C)C1)c1ccccc1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is VDVHZWVJBMWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-7-16(15-8-5-4-6-9-15)17-12-14-10-11-18(2)13-14/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 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-phenylbutan-1-amine is sourced from PubChem (CID 60856064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).