N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine

C20H27N — CID 58802076

IUPACN-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-21(15-17-9-7-6-8-10-17)16-18-11-13-19(14-12-18)20(2,3)4/h6-14H,5,15-16H2,1-4H3
InChIKeyDEOIUTYURPOCNK-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.01
Rot. Bonds5

About N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine

N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine (PubChem CID 58802076) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
PubChem CID58802076
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-21(15-17-9-7-6-8-10-17)16-18-11-13-19(14-12-18)20(2,3)4/h6-14H,5,15-16H2,1-4H3
InChIKeyDEOIUTYURPOCNK-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
CID 18333919
N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine
CID 19893359
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine (CID 58802076) is N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine?
The InChIKey is DEOIUTYURPOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-21(15-17-9-7-6-8-10-17)16-18-11-13-19(14-12-18)20(2,3)4/h6-14H,5,15-16H2,1-4H3.
What are the key properties of N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine?
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine is sourced from PubChem (CID 58802076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).