4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline

C17H22N2 — CID 154634123

IUPAC4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
SMILESCC(C)(Cc1ccc(N)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C17H22N2/c1-17(2,11-13-3-7-15(18)8-4-13)12-14-5-9-16(19)10-6-14/h3-10H,11-12,18-19H2,1-2H3
InChIKeyBIRHUTJUWXEANK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.66
Rot. Bonds4

About 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline

4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline (PubChem CID 154634123) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
PubChem CID154634123
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
SMILESCC(C)(Cc1ccc(N)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C17H22N2/c1-17(2,11-13-3-7-15(18)8-4-13)12-14-5-9-16(19)10-6-14/h3-10H,11-12,18-19H2,1-2H3
InChIKeyBIRHUTJUWXEANK-UHFFFAOYSA-N
XLogP3.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373
4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
4-(3-iodo-3-methylbutyl)aniline
CID 167284801
4-ethylaniline;hydrobromide
CID 86059477
4-(tert-butylsulfinylmethyl)aniline
CID 61303830
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline?
The IUPAC name of 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline (CID 154634123) is 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline.
What is the SMILES notation for 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline?
The canonical SMILES for 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline is CC(C)(Cc1ccc(N)cc1)Cc1ccc(N)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline?
The InChIKey is BIRHUTJUWXEANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,11-13-3-7-15(18)8-4-13)12-14-5-9-16(19)10-6-14/h3-10H,11-12,18-19H2,1-2H3.
What are the key properties of 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline?
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline is sourced from PubChem (CID 154634123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).