2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline

C19H25N — CID 131862398

IUPAC2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline
SMILESCc1ccc(N)c([C@H](C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-13-6-11-18(20)17(12-13)14(2)15-7-9-16(10-8-15)19(3,4)5/h6-12,14H,20H2,1-5H3/t14-/m1/s1
InChIKeyVHBXCBRKUPOAEI-CQSZACIVSA-N
MW267.42 g/mol
LogP5.03
Rot. Bonds2

About 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline

2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline (PubChem CID 131862398) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline
PubChem CID131862398
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline
SMILESCc1ccc(N)c([C@H](C)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-13-6-11-18(20)17(12-13)14(2)15-7-9-16(10-8-15)19(3,4)5/h6-12,14H,20H2,1-5H3/t14-/m1/s1
InChIKeyVHBXCBRKUPOAEI-CQSZACIVSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.03
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-methyl-2-[1-(4-methylphenyl)ethyl]aniline
CID 86084630
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
1-tert-butyl-3-methyl-5-[1-(4-methylphenyl)ethyl]benzene
CID 143472092
2-(4-tert-butylphenyl)sulfanyl-5-methylaniline
CID 43349635
[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
CID 115911656
1-tert-butyl-4-methylbenzene
CID 163486601
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863049
4-[1-(4-amino-3-tert-butylphenyl)ethyl]-2-tert-butylaniline;4-[1-(4-amino-3,5-dimethylphenyl)ethyl]-2,6-dimethylaniline
CID 67298019

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline (CID 131862398) is 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline is Cc1ccc(N)c([C@H](C)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline?
The InChIKey is VHBXCBRKUPOAEI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N/c1-13-6-11-18(20)17(12-13)14(2)15-7-9-16(10-8-15)19(3,4)5/h6-12,14H,20H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline?
2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 131862398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).