1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine

C22H31N — CID 101376934

IUPAC1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
SMILESCC(C)Cc1ccc(CNCc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H31N/c1-17(2)13-19-5-9-21(10-6-19)15-23-16-22-11-7-20(8-12-22)14-18(3)4/h5-12,17-18,23H,13-16H2,1-4H3
InChIKeyFDZYDTOZNSWCIW-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.37
Rot. Bonds8

About 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine

1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine (PubChem CID 101376934) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
PubChem CID101376934
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
SMILESCC(C)Cc1ccc(CNCc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H31N/c1-17(2)13-19-5-9-21(10-6-19)15-23-16-22-11-7-20(8-12-22)14-18(3)4/h5-12,17-18,23H,13-16H2,1-4H3
InChIKeyFDZYDTOZNSWCIW-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine with MolForge

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Related Compounds

4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
3-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]but-2-en-1-amine
CID 106180560
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
CID 103748523
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
5-[[4-(2-methylpropyl)phenyl]methylamino]pentan-2-one
CID 115236449
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine (CID 101376934) is 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine is CC(C)Cc1ccc(CNCc2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine?
The InChIKey is FDZYDTOZNSWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-17(2)13-19-5-9-21(10-6-19)15-23-16-22-11-7-20(8-12-22)14-18(3)4/h5-12,17-18,23H,13-16H2,1-4H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine?
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine has a molecular weight of 309.50 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine is sourced from PubChem (CID 101376934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).