(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine

C20H28N2 — CID 82106116

IUPAC(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
SMILESCN(C)Cc1ccc(C(N)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-20(2,3)18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-22(4)5/h6-13,19H,14,21H2,1-5H3
InChIKeyIMDUMIKSQTYOLL-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.09
Rot. Bonds4

About (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine

(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine (PubChem CID 82106116) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
PubChem CID82106116
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
SMILESCN(C)Cc1ccc(C(N)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-20(2,3)18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-22(4)5/h6-13,19H,14,21H2,1-5H3
InChIKeyIMDUMIKSQTYOLL-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 159823067
1,3-benzodioxol-5-yl-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106107
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112516072
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503111
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202
N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine
CID 71036850
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N-[(4-tert-butylphenyl)methyl]-N-methylformamide
CID 64992471

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine?
The IUPAC name of (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine (CID 82106116) is (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine?
The canonical SMILES for (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine is CN(C)Cc1ccc(C(N)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine?
The InChIKey is IMDUMIKSQTYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-20(2,3)18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-22(4)5/h6-13,19H,14,21H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine?
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine has a molecular weight of 296.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 82106116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).