N-[(4-tert-butylphenyl)methyl]aniline

C17H21N — CID 15903167

IUPACN-[(4-tert-butylphenyl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3
InChIKeyPVAVPLXNUBVKPH-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.60
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]aniline

N-[(4-tert-butylphenyl)methyl]aniline (PubChem CID 15903167) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]aniline
PubChem CID15903167
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3
InChIKeyPVAVPLXNUBVKPH-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 163931246
CID 163931246
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
N-[[4-[1-iodo-1-[4-[(4-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]methyl]aniline
CID 134379030
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-[(4-tert-butylphenyl)methyl]-3-nitroaniline
CID 43425281
4-(anilinomethyl)benzonitrile
CID 11148468
N-[(4-ethynylphenyl)methyl]aniline
CID 102397569

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]aniline?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]aniline (CID 15903167) is N-[(4-tert-butylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]aniline is CC(C)(C)c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]aniline?
The InChIKey is PVAVPLXNUBVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-17(2,3)15-11-9-14(10-12-15)13-18-16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]aniline?
N-[(4-tert-butylphenyl)methyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]aniline is sourced from PubChem (CID 15903167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).