1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine

C18H23N — CID 43483039

IUPAC1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-14(2)15-10-12-17(13-11-15)18(19-3)16-8-6-5-7-9-16/h5-14,18-19H,4H2,1-3H3
InChIKeyRGPPIZZMPBBJOK-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine

1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine (PubChem CID 43483039) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
PubChem CID43483039
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-14(2)15-10-12-17(13-11-15)18(19-3)16-8-6-5-7-9-16/h5-14,18-19H,4H2,1-3H3
InChIKeyRGPPIZZMPBBJOK-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
[4-[methylamino(phenyl)methyl]phenyl]methanediamine
CID 165139654
butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
CID 161102550
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43483023
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine (CID 43483039) is 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine is CCC(C)c1ccc(C(NC)c2ccccc2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine?
The InChIKey is RGPPIZZMPBBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-14(2)15-10-12-17(13-11-15)18(19-3)16-8-6-5-7-9-16/h5-14,18-19H,4H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine?
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 43483039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).