(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

C25H29NS — CID 164887963

IUPAC(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESCC(C)(C)c1ccc(CN(C/C=C/c2ccccc2)Cc2cccs2)cc1
InChIInChI=1S/C25H29NS/c1-25(2,3)23-15-13-22(14-16-23)19-26(20-24-12-8-18-27-24)17-7-11-21-9-5-4-6-10-21/h4-16,18H,17,19-20H2,1-3H3/b11-7+
InChIKeyRLEBMNULNXEIPQ-YRNVUSSQSA-N
MW375.58 g/mol
LogP6.76
Rot. Bonds7

About (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine

(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (PubChem CID 164887963) has the molecular formula C25H29NS and a molecular weight of 375.58 g/mol. Its IUPAC name is (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
PubChem CID164887963
Molecular FormulaC25H29NS
Molecular Weight375.58 g/mol
Exact Mass375.20
IUPAC Name(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
SMILESCC(C)(C)c1ccc(CN(C/C=C/c2ccccc2)Cc2cccs2)cc1
InChIInChI=1S/C25H29NS/c1-25(2,3)23-15-13-22(14-16-23)19-26(20-24-12-8-18-27-24)17-7-11-21-9-5-4-6-10-21/h4-16,18H,17,19-20H2,1-3H3/b11-7+
InChIKeyRLEBMNULNXEIPQ-YRNVUSSQSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine (CID 164887963) is (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is CC(C)(C)c1ccc(CN(C/C=C/c2ccccc2)Cc2cccs2)cc1.
What is the InChIKey of (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is RLEBMNULNXEIPQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H29NS/c1-25(2,3)23-15-13-22(14-16-23)19-26(20-24-12-8-18-27-24)17-7-11-21-9-5-4-6-10-21/h4-16,18H,17,19-20H2,1-3H3/b11-7+.
What are the key properties of (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine?
(E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 375.58 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-tert-butylphenyl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 164887963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).