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

C18H26N2 — CID 62133141

IUPAC3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCn1cccc1CNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H26N2/c1-18(2,3)13-17(15-9-6-5-7-10-15)19-14-16-11-8-12-20(16)4/h5-12,17,19H,13-14H2,1-4H3
InChIKeyUWRCMEAXMSYVHS-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.29
Rot. Bonds5

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

3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 62133141) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
PubChem CID62133141
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCn1cccc1CNC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H26N2/c1-18(2,3)13-17(15-9-6-5-7-10-15)19-14-16-11-8-12-20(16)4/h5-12,17,19H,13-14H2,1-4H3
InChIKeyUWRCMEAXMSYVHS-UHFFFAOYSA-N
XLogP4.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
3,3-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 63332637
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
(2S)-3-methyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 79249305
(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 81372404
1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398344

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine (CID 62133141) is 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine is Cn1cccc1CNC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is UWRCMEAXMSYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-18(2,3)13-17(15-9-6-5-7-10-15)19-14-16-11-8-12-20(16)4/h5-12,17,19H,13-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine?
3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 62133141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).