benzene;4-tert-butylaniline

C16H21N — CID 175140068

IUPACbenzene;4-tert-butylaniline
SMILESCC(C)(C)c1ccc(N)cc1.c1ccccc1
InChIInChI=1S/C10H15N.C6H6/c1-10(2,3)8-4-6-9(11)7-5-8;1-2-4-6-5-3-1/h4-7H,11H2,1-3H3;1-6H
InChIKeySUKDZVMDNKEMNJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.25
Rot. Bonds

About benzene;4-tert-butylaniline

benzene;4-tert-butylaniline (PubChem CID 175140068) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is benzene;4-tert-butylaniline.

Molecular Properties

Compound Namebenzene;4-tert-butylaniline
PubChem CID175140068
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Namebenzene;4-tert-butylaniline
SMILESCC(C)(C)c1ccc(N)cc1.c1ccccc1
InChIInChI=1S/C10H15N.C6H6/c1-10(2,3)8-4-6-9(11)7-5-8;1-2-4-6-5-3-1/h4-7H,11H2,1-3H3;1-6H
InChIKeySUKDZVMDNKEMNJ-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
3-tert-butylaniline;tert-butylbenzene
CID 158494400
CID 171375456
CID 171375456
4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
CID 102249306
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 57264580
4-(2-phenylmethoxypropan-2-yl)aniline
CID 122627268

Frequently Asked Questions

What is the IUPAC name of benzene;4-tert-butylaniline?
The IUPAC name of benzene;4-tert-butylaniline (CID 175140068) is benzene;4-tert-butylaniline.
What is the SMILES notation for benzene;4-tert-butylaniline?
The canonical SMILES for benzene;4-tert-butylaniline is CC(C)(C)c1ccc(N)cc1.c1ccccc1.
What is the InChIKey of benzene;4-tert-butylaniline?
The InChIKey is SUKDZVMDNKEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C6H6/c1-10(2,3)8-4-6-9(11)7-5-8;1-2-4-6-5-3-1/h4-7H,11H2,1-3H3;1-6H.
What are the key properties of benzene;4-tert-butylaniline?
benzene;4-tert-butylaniline has a molecular weight of 227.35 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-tert-butylaniline is sourced from PubChem (CID 175140068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).