2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine

C17H24N2 — CID 115867947

IUPAC2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1ccc(CNC(C)(C)CCc2ccccc2)c1
InChIInChI=1S/C17H24N2/c1-17(2,11-9-15-7-5-4-6-8-15)18-13-16-10-12-19(3)14-16/h4-8,10,12,14,18H,9,11,13H2,1-3H3
InChIKeyBMFBLZIGSORZQU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.53
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine

2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 115867947) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
PubChem CID115867947
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1ccc(CNC(C)(C)CCc2ccccc2)c1
InChIInChI=1S/C17H24N2/c1-17(2,11-9-15-7-5-4-6-8-15)18-13-16-10-12-19(3)14-16/h4-8,10,12,14,18H,9,11,13H2,1-3H3
InChIKeyBMFBLZIGSORZQU-UHFFFAOYSA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115682655
N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 106817114
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115690865
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine (CID 115867947) is 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine is Cn1ccc(CNC(C)(C)CCc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is BMFBLZIGSORZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,11-9-15-7-5-4-6-8-15)18-13-16-10-12-19(3)14-16/h4-8,10,12,14,18H,9,11,13H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine?
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115867947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).