N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine

C22H29N — CID 18333919

IUPACN-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
SMILESC=C(CN(CC)Cc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N/c1-6-23(16-18(2)20-10-8-7-9-11-20)17-19-12-14-21(15-13-19)22(3,4)5/h7-15H,2,6,16-17H2,1,3-5H3
InChIKeyNWCYITOCPWTYJB-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.52
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine

N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine (PubChem CID 18333919) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
PubChem CID18333919
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
SMILESC=C(CN(CC)Cc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N/c1-6-23(16-18(2)20-10-8-7-9-11-20)17-19-12-14-21(15-13-19)22(3,4)5/h7-15H,2,6,16-17H2,1,3-5H3
InChIKeyNWCYITOCPWTYJB-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 18333856
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 139921620
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
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
3-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzonitrile
CID 18333905
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine (CID 18333919) is N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine is C=C(CN(CC)Cc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine?
The InChIKey is NWCYITOCPWTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-6-23(16-18(2)20-10-8-7-9-11-20)17-19-12-14-21(15-13-19)22(3,4)5/h7-15H,2,6,16-17H2,1,3-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine?
N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine has a molecular weight of 307.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 18333919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).