N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine

C13H23N3 — CID 91098834

IUPACN-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1.CNCc1ccccc1
InChIInChI=1S/C8H11N.C5H12N2/c1-9-7-8-5-3-2-4-6-8;1-7-3-2-5(6)4-7/h2-6,9H,7H2,1H3;5H,2-4,6H2,1H3
InChIKeySTCIFXYFMYNNOT-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine

N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine (PubChem CID 91098834) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
PubChem CID91098834
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1.CNCc1ccccc1
InChIInChI=1S/C8H11N.C5H12N2/c1-9-7-8-5-3-2-4-6-8;1-7-3-2-5(6)4-7/h2-6,9H,7H2,1H3;5H,2-4,6H2,1H3
InChIKeySTCIFXYFMYNNOT-UHFFFAOYSA-N
XLogP1.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
CID 18001643
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
CID 156595341
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
CID 162733997
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
4-benzyl-1-methylpiperidine;ethane
CID 142009767
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine (CID 91098834) is N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine is CN1CCC(N)C1.CNCc1ccccc1.
What is the InChIKey of N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine?
The InChIKey is STCIFXYFMYNNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C5H12N2/c1-9-7-8-5-3-2-4-6-8;1-7-3-2-5(6)4-7/h2-6,9H,7H2,1H3;5H,2-4,6H2,1H3.
What are the key properties of N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine?
N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine is sourced from PubChem (CID 91098834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).